当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00923032,ASN 04364372, 2-chloro-N-[3-(3,4-dimethoxybenzoyl)-4,5,6,

ZINC00923032,ASN 04364372, 2-chloro-N-[3-(3,4-dimethoxybenzoyl)-4,5,6,

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:5
摘 要:ZINC00923032,ASN 04364372, 2-chloro-N-[3-(3,4-dimethoxybenzoyl)-4,5,6,,7-tetrahydro-1-benzothiophen-2-yl]acetamide,Canonical SMILES: COC1=C(C=C(C=C1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)CCl)OC,InChI: InChI=1/C19H20ClNO4S/c1-24-13-8-7-11(9-14(13)25-2)18(23)17-
[Synonyms]
ZINC00923032
ASN 04364372

[Structure]
ZINC00923032,ASN 04364372, 2-chloro-N-[3-(3,4-dimethoxybenzoyl)-4,5,6,

[ Properties Computed from Structure]
Molecular Weight393.8844 [g/mol]
Molecular FormulaC19H20ClNO4S
XLogP2.8
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count6
Tautomer Count4
Exact Mass393.080157
MonoIsotopic Mass393.080157
Topological Polar Surface Area64.6
Heavy Atom Count26
Formal Charge0
Complexity520
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: 2-chloro-N-[3-(3,4-dimethoxybenzoyl)-4,5,6,
7-tetrahydro-1-benzothiophen-2-yl]acetamide
Canonical SMILES: COC1=C(C=C(C=C1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)CCl)OC
InChI: InChI=1/C19H20ClNO4S/c1-24-13-8-7-11(9-14(13)25-2)18(23)17-12-5-3-4-6-15
(12)26-19(17)21-16(22)10-20/h7-9H,3-6,10H2,1-2H3,(H,21,22)/f/h21H

 
本文导航:
  • (1) ZINC00923032,ASN 04364372, 2-chloro-N-[3-(3,4-dimethoxybenzoyl)-4,5,6,
  • 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