当前位置: 首页 资料 化学物质数据库 Oprea1_086876,,, :Molecular Weight334.815603 [g/mol]Molecular FormulOprea1_086876,,, :Molecular Weight334.815603 [g/mol]Molecular Formul更新日期：2018-11-23浏览次数：1303摘 要：Oprea1_086876,,, :Molecular Weight334.815603 [g/mol]Molecular FormulaC18H20ClFN2OXLogP4.3H-Bond Donor0H-Bond Acceptor4Rotatable Bond Count4Exact Mass334.124819MonoIsotopic Mass334.124819Topological Polar Surface Area15.7Heavy Atom Count23Formal Cha [Synonyms]Oprea1_086876 Properties Computed from Structure:Molecular Weight334.815603 [g/mol]Molecular FormulaC18H20ClFN2OXLogP4.3H-Bond Donor0H-Bond Acceptor4Rotatable Bond Count4Exact Mass334.124819MonoIsotopic Mass334.124819Topological Polar Surface Area15.7Heavy Atom Count23Formal Charge0Complexity365Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1 Descriptors Computed from Structure:IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-(3-methoxyphenyl)piperazineCanonical SMILES: COC1=CC=CC(=C1)N2CCN(CC2)CC3=C(C=CC=C3Cl)FInChI: InChI=1/C18H20ClFN2O/c1-23-15-5-2-4-14(12-15)22-10-8-21(9-11-22)13-16-17(19)6-3-7-18(16)20/h2-7,12H,8-11,13H2,1H3 Compound Info:CID: 2845346Create Date: 2005-07-29Similar Compounds: 45 Links Substance Info:Substances: All: 7 LinksSame structure: 5 LinksMixture: 2 LinksCategory: [for same structure substances]Biological Properties: 2 LinksChemBank ( 1 )SID: 47998199 - External ID: Oprea1_086876DiscoveryGate ( 1 )SID: 10077049 - External ID: 2845346Substance Vendors: 2 LinksChemBridge ( 1 )SID: 3338866 - External ID: 5416508ChemSpider ( 1 )SID: 40236525 - External ID: 2121817Theoretical Properties: 1 LinkChemDB ( 1 )SID: 7307330 - External ID: 7512463ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2845346Molecular Weight334.815603 [g/mol]Molecular FormulaC18H20ClFN2OXLogP4.3H-Bond Donor0H-Bond Acceptor4LinksChemical 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 Weight334.815603 [g/mol]Molecular FormulaC18H20ClFN2OXLogP4.3H-Bond Donor0H-Bond Acceptor4Rotatable Bond Count4Exact Mass334.124819MonoIsotopic Mass334.124819Topological Polar Surface Area15.7Heavy Atom Count23Formal Charge0Complexity365Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1 [ Descriptors Computed from Structure] IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-(3-methoxyphenyl)piperazineCanonical SMILES: COC1=CC=CC(=C1)N2CCN(CC2)CC3=C(C=CC=C3Cl)FInChI: InChI=1/C18H20ClFN2O/c1-23-15-5-2-4-14(12-15)22-10-8-21(9-11-22)13-16-17(19)6-3-7-18(16)20/h2-7,12H,8-11,13H2,1H3