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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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