当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00938532,ST5201789, methyl,4-[3-chloro-2,5-dioxo-4-[[4-(phenoxy)ph

ZINC00938532,ST5201789, methyl,4-[3-chloro-2,5-dioxo-4-[[4-(phenoxy)ph

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:3
摘 要:ZINC00938532,ST5201789, methyl,4-[3-chloro-2,5-dioxo-4-[[4-(phenoxy)phenyl]amino]pyrrol-1-yl]benzoate,Canonical SMILES: COC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)OC4=CC=CC=C4,InChI: InChI=1/C24H17ClN2O5/c1-31-24(30)15-7-11-17(12-8-15)27-2
[Synonyms]
ZINC00938532
ST5201789

[Structure]
ZINC00938532,ST5201789, methyl,4-[3-chloro-2,5-dioxo-4-[[4-(phenoxy)ph

[ Properties Computed from Structure]
Molecular Weight448.85518 [g/mol]
Molecular FormulaC24H17ClN2O5
XLogP5
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count7
Tautomer Count3
Exact Mass448.082599
MonoIsotopic Mass448.082599
Topological Polar Surface Area84.9
Heavy Atom Count32
Formal Charge0
Complexity748
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-[3-chloro-2,5-dioxo-4-[[4-(phenoxy)phenyl]amino]pyrrol-1-yl]benzoate
Canonical SMILES: COC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)OC4=CC=CC=C4
InChI: InChI=1/C24H17ClN2O5/c1-31-24(30)15-7-11-17(12-8-15)27-22(28)20(25)21(23
(27)29)26-16-9-13-19(14-10-16)32-18-5-3-2-4-6-18/h2-14,26H,1H3

 
本文导航:
  • (1) ZINC00938532,ST5201789, methyl,4-[3-chloro-2,5-dioxo-4-[[4-(phenoxy)ph
  • 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