当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_262158,ZINC00936972,ST5206493,EU-0098337, 3-[(4-tert-butylpheny

Oprea1_262158,ZINC00936972,ST5206493,EU-0098337, 3-[(4-tert-butylpheny

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:4
摘 要:Oprea1_262158,ZINC00936972,ST5206493,EU-0098337, 3-[(4-tert-butylphenyl)methyl]-N-(2-methoxyphenyl)-5-methyl-4-oxothieno,[5,4-d]pyrimidine-6-carboxamide,Canonical SMILES: CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=C(C=C3)C(C)(C)C)C(=O)NC4=CC=CC=C4OC,InChI: InChI
[Synonyms]
Oprea1_262158
ZINC00936972
ST5206493
EU-0098337

[Structure]
Oprea1_262158,ZINC00936972,ST5206493,EU-0098337, 3-[(4-tert-butylpheny

[ Properties Computed from Structure]
Molecular Weight461.57588 [g/mol]
Molecular FormulaC26H27N3O3S
XLogP4.3
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count6
Tautomer Count2
Exact Mass461.177312
MonoIsotopic Mass461.177312
Topological Polar Surface Area71
Heavy Atom Count33
Formal Charge0
Complexity744
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-[(4-tert-butylphenyl)methyl]-N-(2-methoxyphenyl)-5-methyl-4-oxothieno
[5,4-d]pyrimidine-6-carboxamide
Canonical SMILES: CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=C(C=C3)C(C)(C)C)C(=O)NC4=CC=CC=C4OC
InChI: InChI=1/C26H27N3O3S/c1-16-21-24(33-22(16)23(30)28-19-8-6-7-9-20(19)32-5)
27-15-29(25(21)31)14-17-10-12-18(13-11-17)26(2,3)4/h6-13,15H,14H2,1-5H3,
(H,28,30)/f/h28H

 
本文导航:
  • (1) Oprea1_262158,ZINC00936972,ST5206493,EU-0098337, 3-[(4-tert-butylpheny
  • 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