当前位置: 首页 资料 化学物质数据库 Oprea1_426666,,, :Molecular Weight380.408926 [g/mol]Molecular FormulOprea1_426666,,, :Molecular Weight380.408926 [g/mol]Molecular Formul更新日期：2018-11-23浏览次数：1007摘 要：Oprea1_426666,,, :Molecular Weight380.408926 [g/mol]Molecular FormulaC18H18F2N2O3SXLogP3.2H-Bond Donor1H-Bond Acceptor6Rotatable Bond Count4Tautomer Count2Exact Mass380.10062MonoIsotopic Mass380.10062Topological Polar Surface Area66.5Heavy Atom Cou [Synonyms]Oprea1_426666 Properties Computed from Structure:Molecular Weight380.408926 [g/mol]Molecular FormulaC18H18F2N2O3SXLogP3.2H-Bond Donor1H-Bond Acceptor6Rotatable Bond Count4Tautomer Count2Exact Mass380.10062MonoIsotopic Mass380.10062Topological Polar Surface Area66.5Heavy Atom Count26Formal Charge0Complexity602Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count1Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1 Descriptors Computed from Structure:IUPAC Name: N-(2,4-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamideCanonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=C(C=C(C=C3)F)FInChI: InChI=1/C18H18F2N2O3S/c1-12-4-7-14(8-5-12)26(24,25)22-10-2-3-17(22)18(23)21-16-9-6-13(19)11-15(16)20/h4-9,11,17H,2-3,10H2,1H3,(H,21,23)/f/h21H Compound Info:CID: 2882460Create Date: 2005-07-29Related Compounds:Same, Connectivity: 3 LinksSimilar Compounds: 710 Links Substance Info:Substances: 6 LinksCategory: [for same structure substances]Biological Properties: 2 LinksChemBank ( 1 )SID: 47369224 - External ID: Oprea1_426666DiscoveryGate ( 1 )SID: 10099438 - External ID: 2882460Substance Vendors: 2 LinksChemBridge ( 1 )SID: 3425352 - External ID: 6046728ChemSpider ( 1 )SID: 40848344 - External ID: 2156971Theoretical Properties: 1 LinkChemDB ( 1 )SID: 5496243 - External ID: 4227626ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2882460Molecular Weight380.408926 [g/mol]Molecular FormulaC18H18F2N2O3SXLogP3.2H-Bond Donor1H-Bond Acceptor6LinksChemical Structure Search Write to Helpdesk | Disclaimer | Privacy statement | Accessibility var gaJsHost = ((\"https:\" == document.location.protocol) ? \"https://www.\" : \"http://www.\"); document.write(unescape(\"%3Cscript src=\'\" + gaJsHost + \"ncbi.nlm.nih.gov/Structure/ga.js\' type=\'text/javascript\'%3E%3C/script%3E\"));var pageTracker = _gat._getTracker(\"UA-4307947-1\"); pageTracker._initData(); pageTracker._trackPageview(); [Structure] [ Properties Computed from Structure] Molecular Weight380.408926 [g/mol]Molecular FormulaC18H18F2N2O3SXLogP3.2H-Bond Donor1H-Bond Acceptor6Rotatable Bond Count4Tautomer Count2Exact Mass380.10062MonoIsotopic Mass380.10062Topological Polar Surface Area66.5Heavy Atom Count26Formal Charge0Complexity602Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count1Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1 [ Descriptors Computed from Structure] IUPAC Name: N-(2,4-difluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamideCanonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=C(C=C(C=C3)F)FInChI: InChI=1/C18H18F2N2O3S/c1-12-4-7-14(8-5-12)26(24,25)22-10-2-3-17(22)18(23)21-16-9-6-13(19)11-15(16)20/h4-9,11,17H,2-3,10H2,1H3,(H,21,23)/f/h21H