当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_475231,Oprea1_767953,ZINC00917554,ASN 02254691,4-[2-(3-Cyano-6-

Oprea1_475231,Oprea1_767953,ZINC00917554,ASN 02254691,4-[2-(3-Cyano-6-

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:13
摘 要:Oprea1_475231,Oprea1_767953,ZINC00917554,ASN 02254691,4-[2-(3-Cyano-6-methoxy-quinolin-2-ylsulfanyl)-acetylamino]-benzoic acid methyl, methyl,4-[[2-(3-cyano-6-methoxyquinolin-2-yl)sulfanylacetyl]amino]benzoate,Canonical SMILES: COC1=CC2=C(C=C1)N=C(C(
[Synonyms]
Oprea1_475231
Oprea1_767953
ZINC00917554
ASN 02254691
4-[2-(3-Cyano-6-methoxy-quinolin-2-ylsulfanyl)-acetylamino]-benzoic acid methyl

[Structure]
Oprea1_475231,Oprea1_767953,ZINC00917554,ASN 02254691,4-[2-(3-Cyano-6-

[ Properties Computed from Structure]
Molecular Weight407.44238 [g/mol]
Molecular FormulaC21H17N3O4S
XLogP3
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count7
Tautomer Count3
Exact Mass407.093977
MonoIsotopic Mass407.093977
Topological Polar Surface Area101
Heavy Atom Count29
Formal Charge0
Complexity629
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: methyl
4-[[2-(3-cyano-6-methoxyquinolin-2-yl)sulfanylacetyl]amino]benzoate
Canonical SMILES: COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)OC
InChI: InChI=1/C21H17N3O4S/c1-27-17-7-8-18-14(10-17)9-15(11-22)20(24-18)29-12-
19(25)23-16-5-3-13(4-6-16)21(26)28-2/h3-10H,12H2,1-2H3,(H,23,25)/f/h23H

 
本文导航:
  • (1) Oprea1_475231,Oprea1_767953,ZINC00917554,ASN 02254691,4-[2-(3-Cyano-6-
  • 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