当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00920091,ASN 04251995, 1-[(6,,7-dimethyl-2-oxo-1H-quinolin-3-yl)me

ZINC00920091,ASN 04251995, 1-[(6,,7-dimethyl-2-oxo-1H-quinolin-3-yl)me

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:6
摘 要:ZINC00920091,ASN 04251995, 1-[(6,,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(3-,methoxyphenyl)thiourea,Canonical SMILES: CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCO)C(=S)NC3=CC(=CC=C3)OC)C,InChI: InChI=1/C22H25N3O3S/c1-14-9-16-11-17(21(27
[Synonyms]
ZINC00920091
ASN 04251995

[Structure]
ZINC00920091,ASN 04251995, 1-[(6,,7-dimethyl-2-oxo-1H-quinolin-3-yl)me

[ Properties Computed from Structure]
Molecular Weight411.5172 [g/mol]
Molecular FormulaC22H25N3O3S
XLogP2.2
H-Bond Donor3
H-Bond Acceptor3
Rotatable Bond Count6
Tautomer Count4
Exact Mass411.161662
MonoIsotopic Mass411.161662
Topological Polar Surface Area73.8
Heavy Atom Count29
Formal Charge0
Complexity626
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: 1-[(6,
7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(3-
methoxyphenyl)thiourea
Canonical SMILES: CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCO)C(=S)NC3=CC(=CC=C3)OC)C
InChI: InChI=1/C22H25N3O3S/c1-14-9-16-11-17(21(27)24-20(16)10-15(14)2)13-25(7-
8-26)22(29)23-18-5-4-6-19(12-18)28-3/h4-6,9-12,26H,7-8,13H2,1-3H3,(H,23,
29)(H,24,27)/f/h23-24H

 
本文导航:
  • (1) ZINC00920091,ASN 04251995, 1-[(6,,7-dimethyl-2-oxo-1H-quinolin-3-yl)me
  • 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