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            当前地位: 澳门葡京官网 » 材料 » 化学物质数据库 » ZINC03454479 ethyl,2-[[2-[3-(2-methylpropyl)-2,4,,5-trioxoimidazolidin

            ZINC03454479 ethyl,2-[[2-[3-(2-methylpropyl)-2,4,,5-trioxoimidazolidin

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            新萄京娱乐场老牌网址:ZINC03454479 ethyl,2-[[2-[3-(2-methylpropyl)-2,4,,5-trioxoimidazolidin-1-yl]acetyl]amino]benzoate,Canonical SMILES: CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C(=O)N(C2=O)CC(C)C,InChI: InChI=1/C18H21N3O6/c1-4-27-17(25)12-7-5-6-8-13(12)19-14(22)10-21-16(24),15(
            [Synonyms]
            ZINC03454479
            [Structure]
            ZINC03454479 ethyl,2-[[2-[3-(2-methylpropyl)-2,4,,5-trioxoimidazolidin

            [ Properties Computed from Structure]
            Molecular Weight375.37584 [g/mol]
            Molecular FormulaC18H21N3O6
            XLogP1.5
            H-Bond Donor1
            H-Bond Acceptor6
            Rotatable Bond Count8
            Tautomer Count3
            Exact Mass375.143035
            MonoIsotopic Mass375.143035
            Topological Polar Surface Area113
            Heavy Atom Count27
            Formal Charge0
            Complexity633
            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: ethyl
            2-[[2-[3-(2-methylpropyl)-2,4,
            5-trioxoimidazolidin-1-yl]acetyl]amino]benzoate
            Canonical SMILES: CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C(=O)N(C2=O)CC(C)C
            InChI: InChI=1/C18H21N3O6/c1-4-27-17(25)12-7-5-6-8-13(12)19-14(22)10-21-16(24)
            15(23)20(18(21)26)9-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,19,22)/f/h19H

             
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