STOCK1S-81877,,, :Molecular Weight492.54356 [g/mol]Molecular Formula2020-05-10 21:15点击:23 [Synonyms]STOCK1S-81877 Properties Computed from Structure:Molecular Weight492.54356 [g/mol]Molecular FormulaC26H24N2O6SXLogP5.3H-Bond Donor2H-Bond Acceptor6Rotatable Bond Count11Tautomer Count6Exact Mass492.135507MonoIsotopic Mass492.135507Topological Polar Surface Area111Heavy Atom Count35Formal Charge0Complexity731Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1 Descriptors Computed from Structure:IUPAC Name: ethyl4-[[2-[(4-ethoxycarbonylphenyl)carbamoyl]-3-thiophen-2-ylprop-2-enoyl]amino]benzoateCanonical SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=CS2)C(=O)NC3=CC=C(C=C3)C(=O)OCCInChI: InChI=1/C26H24N2O6S/c1-3-33-25(31)17-7-11-19(12-8-17)27-23(29)22(16-21-6-5-15-35-21)24(30)28-20-13-9-18(10-14-20)26(32)34-4-2/h5-16H,3-4H2,1-2H3,(H,27,29)(H,28,30)/f/h27-28H Compound Info:CID: 2892447Create Date: 2005-07-29Similar Compounds: 653 Links Substance Info:Substances: 5 LinksCategory: [for same structure substances]Biological Properties: 1 LinkDiscoveryGate ( 1 )SID: 10105736 - External ID: 2892447Substance Vendors: 3 LinksAmbinter ( 1 )SID: 25705110 - External ID: STOCK1S-81877ChemBridge ( 1 )SID: 3451655 - External ID: 6254741ChemSpider ( 1 )SID: 40857861 - External ID: 2166493Theoretical Properties: 1 LinkChemDB ( 1 )SID: 5184446 - External ID: 4358656ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2892447Molecular Weight492.54356 [g/mol]Molecular FormulaC26H24N2O6SXLogP5.3H-Bond Donor2H-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 Weight492.54356 [g/mol]Molecular FormulaC26H24N2O6SXLogP5.3H-Bond Donor2H-Bond Acceptor6Rotatable Bond Count11Tautomer Count6Exact Mass492.135507MonoIsotopic Mass492.135507Topological Polar Surface Area111Heavy Atom Count35Formal Charge0Complexity731Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1 [ Descriptors Computed from Structure] IUPAC Name: ethyl4-[[2-[(4-ethoxycarbonylphenyl)carbamoyl]-3-thiophen-2-ylprop-2-enoyl]amino]benzoateCanonical SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=CS2)C(=O)NC3=CC=C(C=C3)C(=O)OCCInChI: InChI=1/C26H24N2O6S/c1-3-33-25(31)17-7-11-19(12-8-17)27-23(29)22(16-21-6-5-15-35-21)24(30)28-20-13-9-18(10-14-20)26(32)34-4-2/h5-16H,3-4H2,1-2H3,(H,27,29)(H,28,30)/f/h27-28H