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          当前地位: 澳门葡京官网 » 材料 » 化学物质数据库 » ZINC03451207 [2-(cyclohexylmethylamino)-2-oxoethyl],(E)-3-[3-(trifluor

          ZINC03451207 [2-(cyclohexylmethylamino)-2-oxoethyl],(E)-3-[3-(trifluor

          放大年夜字体  缩小字体 更新日期:2018-05-06  浏览次数:4
          新萄京娱乐场老牌网址:ZINC03451207 [2-(cyclohexylmethylamino)-2-oxoethyl],(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate,Canonical SMILES: C1CCC(CC1)CNC(=O)COC(=O)C=CC2=CC(=CC=C2)C(F)(F)F,Isomeric SMILES: C1CCC(CC1)CNC(=O)COC(=O)\C=C\C2=CC(=CC=C2)C(F)(F)F,InChI: InChI=1/C
          [Synonyms]
          ZINC03451207
          [Structure]
          ZINC03451207 [2-(cyclohexylmethylamino)-2-oxoethyl],(E)-3-[3-(trifluor

          [ Properties Computed from Structure]
          Molecular Weight369.37809 [g/mol]
          Molecular FormulaC19H22F3NO3
          XLogP4.8
          H-Bond Donor1
          H-Bond Acceptor6
          Rotatable Bond Count7
          Tautomer Count2
          Exact Mass369.155178
          MonoIsotopic Mass369.155178
          Topological Polar Surface Area55.4
          Heavy Atom Count26
          Formal Charge0
          Complexity499
          Isotope Atom Count0
          Defined Atom StereoCenter Count0
          Undefined Atom StereoCenter Count0
          Defined Bond StereoCenter Count1
          Undefined Bond StereoCenter Count0
          Covalently-Bonded Unit Count1

          [ Descriptors Computed from Structure]
          IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl]
          (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
          Canonical SMILES: C1CCC(CC1)CNC(=O)COC(=O)C=CC2=CC(=CC=C2)C(F)(F)F
          Isomeric SMILES: C1CCC(CC1)CNC(=O)COC(=O)\C=C\C2=CC(=CC=C2)C(F)(F)F
          InChI: InChI=1/C19H22F3NO3/c20-19(21,
          22)16-8-4-7-14(11-16)9-10-18(25)26-13-17(24)23-12-15-5-2-1-3-6-15/h4,
          7-11,15H,1-3,5-6,12-13H2,(H,23,24)/b10-9+/f/h23H

           
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          • (1) ZINC03451207 [2-(cyclohexylmethylamino)-2-oxoethyl],(E)-3-[3-(trifluor
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