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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 » ZINC00030923 (2S)-2-(phenoxy)-N-(pyridin-4-ylmethyl)propanamide,Canoni

          ZINC00030923 (2S)-2-(phenoxy)-N-(pyridin-4-ylmethyl)propanamide,Canoni

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          九五至尊网址886868:ZINC00030923 (2S)-2-(phenoxy)-N-(pyridin-4-ylmethyl)propanamide,Canonical SMILES: CC(C(=O)NCC1=CC=NC=C1)OC2=CC=CC=C2,Isomeric SMILES: C[C@@H](C(=O)NCC1=CC=NC=C1)OC2=CC=CC=C2,InChI: InChI=1/C15H16N2O2/c1-12(19-14-5-3-2-4-6-14)15(18)17-11-13-7-9-16-10-
          [Synonyms]
          ZINC00030923
          [Structure]
          ZINC00030923 (2S)-2-(phenoxy)-N-(pyridin-4-ylmethyl)propanamide,Canoni

          [ Properties Computed from Structure]
          Molecular Weight256.29974 [g/mol]
          Molecular FormulaC15H16N2O2
          XLogP2.1
          H-Bond Donor1
          H-Bond Acceptor3
          Rotatable Bond Count5
          Tautomer Count2
          Exact Mass256.121178
          MonoIsotopic Mass256.121178
          Topological Polar Surface Area51.2
          Heavy Atom Count19
          Formal Charge0
          Complexity271
          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)-2-(phenoxy)-N-(pyridin-4-ylmethyl)propanamide
          Canonical SMILES: CC(C(=O)NCC1=CC=NC=C1)OC2=CC=CC=C2
          Isomeric SMILES: C[C@@H](C(=O)NCC1=CC=NC=C1)OC2=CC=CC=C2
          InChI: InChI=1/C15H16N2O2/c1-12(19-14-5-3-2-4-6-14)15(18)17-11-13-7-9-16-10-8-
          13/h2-10,12H,11H2,1H3,(H,17,18)/t12-/m0/s1/f/h17H

           
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