当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00935612 (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphe

ZINC00935612 (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphe

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:2
摘 要:ZINC00935612 (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy),propanamide,Canonical SMILES: CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)OC2=CC=C(C=C2)C3=CC=CC=C3,Isomeric SMILES: CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@@H](C)OC2=CC=C(C=C2)C3=CC=CC=C3,InChI: InC
[Synonyms]
ZINC00935612
[Structure]
ZINC00935612 (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphe

[ Properties Computed from Structure]
Molecular Weight395.87868 [g/mol]
Molecular FormulaC23H22ClNO3
XLogP5.9
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count6
Tautomer Count2
Exact Mass395.128821
MonoIsotopic Mass395.128821
Topological Polar Surface Area47.6
Heavy Atom Count28
Formal Charge0
Complexity488
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)
propanamide
Canonical SMILES: CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)OC2=CC=C(C=C2)C3=CC=CC=C3
Isomeric SMILES: CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@@H](C)OC2=CC=C(C=C2)C3=CC=CC=C3
InChI: InChI=1/C23H22ClNO3/c1-15-13-21(22(27-3)14-20(15)24)25-23(26)16(2)28-19-
11-9-18(10-12-19)17-7-5-4-6-8-17/h4-14,16H,1-3H3,(H,25,
26)/t16-/m1/s1/f/h25H

 
本文导航:
  • (1) ZINC00935612 (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphe
  • 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