当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_107944,Oprea1_639103,ZINC00918924,ASN 04196134, N-cyclopentyl-N

Oprea1_107944,Oprea1_639103,ZINC00918924,ASN 04196134, N-cyclopentyl-N

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:6
摘 要:Oprea1_107944,Oprea1_639103,ZINC00918924,ASN 04196134, N-cyclopentyl-N-[(6,,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-fluorobenzenesulfonamide,Canonical SMILES: COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(C3CCCC3)S(=O)(=O)C4=CC=CC=C4F)OC,InChI: InChI=1/C23H25
[Synonyms]
Oprea1_107944
Oprea1_639103
ZINC00918924
ASN 04196134

[Structure]
Oprea1_107944,Oprea1_639103,ZINC00918924,ASN 04196134, N-cyclopentyl-N

[ Properties Computed from Structure]
Molecular Weight460.518403 [g/mol]
Molecular FormulaC23H25FN2O5S
XLogP2.9
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count7
Tautomer Count2
Exact Mass460.146821
MonoIsotopic Mass460.146821
Topological Polar Surface Area84.9
Heavy Atom Count32
Formal Charge0
Complexity808
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-N-[(6,
7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-fluorobenzenesulfonamide
Canonical SMILES: COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(C3CCCC3)S(=O)(=O)C4=CC=CC=C4F)OC
InChI: InChI=1/C23H25FN2O5S/c1-30-20-12-15-11-16(23(27)25-19(15)13-21(20)31-2)
14-26(17-7-3-4-8-17)32(28,29)22-10-6-5-9-18(22)24/h5-6,9-13,17H,3-4,7-8,
14H2,1-2H3,(H,25,27)/f/h25H

 
本文导航:
  • (1) Oprea1_107944,Oprea1_639103,ZINC00918924,ASN 04196134, N-cyclopentyl-N
  • 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