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          当前地位: 澳门葡京官网 » 材料 » 化学物质数据库 » ZINC03461508,T5384126, N-cyclopentyl-2-[[5-[(4-ethylphenyl)amino]-1,3,

          ZINC03461508,T5384126, N-cyclopentyl-2-[[5-[(4-ethylphenyl)amino]-1,3,

          放大年夜字体  缩小字体 更新日期:2018-05-06  浏览次数:8
          新萄京娱乐场老牌网址:ZINC03461508,T5384126, N-cyclopentyl-2-[[5-[(4-ethylphenyl)amino]-1,3,,4-thiadiazol-2-yl]sulfanyl]acetamide,Canonical SMILES: CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3CCCC3,InChI: InChI=1/C17H22N4OS2/c1-2-12-7-9-14(10-8-12)19-16-20-21-17(24-16)23-11-15,(
          [Synonyms]
          ZINC03461508
          T5384126

          [Structure]
          ZINC03461508,T5384126, N-cyclopentyl-2-[[5-[(4-ethylphenyl)amino]-1,3,

          [ Properties Computed from Structure]
          Molecular Weight362.51278 [g/mol]
          Molecular FormulaC17H22N4OS2
          XLogP4.3
          H-Bond Donor2
          H-Bond Acceptor4
          Rotatable Bond Count7
          Tautomer Count4
          Exact Mass362.123503
          MonoIsotopic Mass362.123503
          Topological Polar Surface Area66.9
          Heavy Atom Count24
          Formal Charge0
          Complexity398
          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: N-cyclopentyl-2-[[5-[(4-ethylphenyl)amino]-1,3,
          4-thiadiazol-2-yl]sulfanyl]acetamide
          Canonical SMILES: CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3CCCC3
          InChI: InChI=1/C17H22N4OS2/c1-2-12-7-9-14(10-8-12)19-16-20-21-17(24-16)23-11-15
          (22)18-13-5-3-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,22)(H,19,20)/f/h18-19H

           
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