当前位置: 首页 » 资料 » 化学物质数据库 » ZINC03362267,T5283902, (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl

ZINC03362267,T5283902, (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl

放大字体  缩小字体 更新日期:2018-11-23  浏览次数:7
摘 要:ZINC03362267,T5283902, (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl,(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate,Canonical SMILES: CC1=CC(=C(C(=C1C)S(=O)(=O)NC(C)C(=O)OCC2=CC(=O)OC3=CC4=C(CCC4)C=C23)C)C,Isomeric SMILES: CC1=C
[Synonyms]
ZINC03362267
T5283902

[Structure]
ZINC03362267,T5283902, (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl

[ Properties Computed from Structure]
Molecular Weight483.57656 [g/mol]
Molecular FormulaC26H29NO6S
XLogP4.7
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count7
Exact Mass483.171558
MonoIsotopic Mass483.171558
Topological Polar Surface Area98.8
Heavy Atom Count34
Formal Charge0
Complexity910
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: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl
(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
Canonical SMILES: CC1=CC(=C(C(=C1C)S(=O)(=O)NC(C)C(=O)OCC2=CC(=O)OC3=CC4=C(CCC4)C=C23)C)C
Isomeric SMILES: CC1=CC(=C(C(=C1C)S(=O)(=O)N[C@@H](C)C(=O)OCC2=CC(=O)OC3=CC4=C(CCC4)C=
C23)C)C
InChI: InChI=1/C26H29NO6S/c1-14-9-15(2)17(4)25(16(14)3)34(30,
31)27-18(5)26(29)32-13-21-12-24(28)33-23-11-20-8-6-7-19(20)10-22(21)23/
h9-12,18,27H,6-8,13H2,1-5H3/t18-/m0/s1

 
本文导航:
  • (1) ZINC03362267,T5283902, (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl
  • 下一篇:鳖甲
  • 上一篇:暂无
 
[ 资料搜索 ]  [ 加入收藏 ]  [ 告诉好友 ]  [ 打印本文 ]  [ 关闭窗口 ]

 

 
推荐图文
推荐资料
热门关注