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                当前地位: 九五至尊娱乐在线游戏 » 材料 » 化学物质数据库 » ZINC00030917 (2S)-N-(3-acetamidophenyl)-2-(phenoxy)propanamide,Canonic

                ZINC00030917 (2S)-N-(3-acetamidophenyl)-2-(phenoxy)propanamide,Canonic

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                九五至尊网址886868:ZINC00030917 (2S)-N-(3-acetamidophenyl)-2-(phenoxy)propanamide,Canonical SMILES: CC(C(=O)NC1=CC=CC(=C1)NC(=O)C)OC2=CC=CC=C2,Isomeric SMILES: C[C@@H](C(=O)NC1=CC=CC(=C1)NC(=O)C)OC2=CC=CC=C2,InChI: InChI=1/C17H18N2O3/c1-12(22-16-9-4-3-5-10-16)17(21)19-
                [Synonyms]
                ZINC00030917
                [Structure]
                ZINC00030917 (2S)-N-(3-acetamidophenyl)-2-(phenoxy)propanamide,Canonic

                [ Properties Computed from Structure]
                Molecular Weight298.33642 [g/mol]
                Molecular FormulaC17H18N2O3
                XLogP2.5
                H-Bond Donor2
                H-Bond Acceptor3
                Rotatable Bond Count5
                Tautomer Count4
                Exact Mass298.131742
                MonoIsotopic Mass298.131742
                Topological Polar Surface Area67.4
                Heavy Atom Count22
                Formal Charge0
                Complexity380
                Isotope Atom Count0
                Defined Atom StereoCenter Count1
                Undefined Atom StereoCenter Count0
                Defined Bond StereoCenter Count0
                Undefined Bond StereoCenter Count0
                Covalently-Bonded Unit Count1

                [ Descriptors Computed from Structure]
                IUPAC Name: (2S)-N-(3-acetamidophenyl)-2-(phenoxy)propanamide
                Canonical SMILES: CC(C(=O)NC1=CC=CC(=C1)NC(=O)C)OC2=CC=CC=C2
                Isomeric SMILES: C[C@@H](C(=O)NC1=CC=CC(=C1)NC(=O)C)OC2=CC=CC=C2
                InChI: InChI=1/C17H18N2O3/c1-12(22-16-9-4-3-5-10-16)17(21)19-15-8-6-7-14(11-15)
                18-13(2)20/h3-12H,1-2H3,(H,18,20)(H,19,21)/t12-/m0/s1/f/h18-19H

                 
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