当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00939174,ST5183247, 3-chloro-1-(5-chloro-2-methoxyphenyl)-4-[(3-ch

ZINC00939174,ST5183247, 3-chloro-1-(5-chloro-2-methoxyphenyl)-4-[(3-ch

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:11
摘 要:ZINC00939174,ST5183247, 3-chloro-1-(5-chloro-2-methoxyphenyl)-4-[(3-chloro-2-methylphenyl)amino],pyrrole-2,5-dione,Canonical SMILES: CC1=C(C=CC=C1Cl)NC2=C(C(=O)N(C2=O)C3=C(C=CC(=C3)Cl)OC)Cl,InChI: InChI=1/C18H13Cl3N2O3/c1-9-11(20)4-3-5-12(9)22-16-15(
[Synonyms]
ZINC00939174
ST5183247

[Structure]
ZINC00939174,ST5183247, 3-chloro-1-(5-chloro-2-methoxyphenyl)-4-[(3-ch

[ Properties Computed from Structure]
Molecular Weight411.66642 [g/mol]
Molecular FormulaC18H13Cl3N2O3
XLogP4.9
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count4
Tautomer Count3
Exact Mass409.999175
MonoIsotopic Mass409.999175
Topological Polar Surface Area58.6
Heavy Atom Count26
Formal Charge0
Complexity613
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: 3-chloro-1-(5-chloro-2-methoxyphenyl)-4-[(3-chloro-2-methylphenyl)amino]
pyrrole-2,5-dione
Canonical SMILES: CC1=C(C=CC=C1Cl)NC2=C(C(=O)N(C2=O)C3=C(C=CC(=C3)Cl)OC)Cl
InChI: InChI=1/C18H13Cl3N2O3/c1-9-11(20)4-3-5-12(9)22-16-15(21)17(24)23(18(16)
25)13-8-10(19)6-7-14(13)26-2/h3-8,22H,1-2H3

 
本文导航:
  • (1) ZINC00939174,ST5183247, 3-chloro-1-(5-chloro-2-methoxyphenyl)-4-[(3-ch
  • 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