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            当前地位: 澳门葡京官网 » 材料 » 化学物质数据库 » ZINC03447118,T5345499, 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(4-fluoro

            ZINC03447118,T5345499, 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(4-fluoro

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            新萄京娱乐场老牌网址:ZINC03447118,T5345499, 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(4-fluorophenyl)quinazolin-4-one,Canonical SMILES: CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)F,InChI: InChI=1/C20H19FN2O2S/c1-20(2,,3)17(24)12-26-19-22-16-7-5-4-6-15(16)18(25)23(19)
            [Synonyms]
            ZINC03447118
            T5345499

            [Structure]
            ZINC03447118,T5345499, 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(4-fluoro

            [ Properties Computed from Structure]
            Molecular Weight370.440463 [g/mol]
            Molecular FormulaC20H19FN2O2S
            XLogP3.4
            H-Bond Donor0
            H-Bond Acceptor4
            Rotatable Bond Count5
            Tautomer Count2
            Exact Mass370.115127
            MonoIsotopic Mass370.115127
            Topological Polar Surface Area49.7
            Heavy Atom Count26
            Formal Charge0
            Complexity579
            Isotope Atom Count0
            Defined Atom StereoCenter Count0
            Undefined Atom StereoCenter Count0
            Defined Bond StereoCenter Count0
            Undefined Bond StereoCenter Count0
            Covalently-Bonded Unit Count1

            [ Descriptors Computed from Structure]
            IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(4-fluorophenyl)quinazolin-4-one
            Canonical SMILES: CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)F
            InChI: InChI=1/C20H19FN2O2S/c1-20(2,
            3)17(24)12-26-19-22-16-7-5-4-6-15(16)18(25)23(19)14-10-8-13(21)9-11-14/
            h4-11H,12H2,1-3H3

             
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