当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_037451,Oprea1_281169,ZINC00879638,BAS 02052848,ST5011651,AK-968

Oprea1_037451,Oprea1_281169,ZINC00879638,BAS 02052848,ST5011651,AK-968

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:8
摘 要:Oprea1_037451,Oprea1_281169,ZINC00879638,BAS 02052848,ST5011651,AK-968/12116547, methyl,2-[(4-fluorobenzoyl)amino]-4,5,6,7,8,,9-hexahydrocycloocta[d]thiophene-3-carboxylate,Canonical SMILES: COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=CC=C(C=C3)F,InChI: InChI
[Synonyms]
Oprea1_037451
Oprea1_281169
ZINC00879638
BAS 02052848
ST5011651
AK-968/12116547

[Structure]
Oprea1_037451,Oprea1_281169,ZINC00879638,BAS 02052848,ST5011651,AK-968

[ Properties Computed from Structure]
Molecular Weight361.430403 [g/mol]
Molecular FormulaC19H20FNO3S
XLogP4.4
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count4
Tautomer Count4
Exact Mass361.114792
MonoIsotopic Mass361.114792
Topological Polar Surface Area55.4
Heavy Atom Count25
Formal Charge0
Complexity481
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
2-[(4-fluorobenzoyl)amino]-4,5,6,7,8,
9-hexahydrocycloocta[d]thiophene-3-carboxylate
Canonical SMILES: COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=CC=C(C=C3)F
InChI: InChI=1/C19H20FNO3S/c1-24-19(23)16-14-6-4-2-3-5-7-15(14)25-18(16)21-17
(22)12-8-10-13(20)11-9-12/h8-11H,2-7H2,1H3,(H,21,22)/f/h21H

 
本文导航:
  • (1) Oprea1_037451,Oprea1_281169,ZINC00879638,BAS 02052848,ST5011651,AK-968
  • 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