当前位置: 首页 » 资料 » 化学物质数据库 » Maybridge1_003134,Oprea1_233714,ZINC00141670,CD 10188,SR-01000639623-1

Maybridge1_003134,Oprea1_233714,ZINC00141670,CD 10188,SR-01000639623-1

放大字体  缩小字体 更新日期:2018-11-23  浏览次数:1
摘 要:Maybridge1_003134,Oprea1_233714,ZINC00141670,CD 10188,SR-01000639623-1, ethyl,2-[(4-tert-butyl-1,,3-thiazol-2-yl)amino]-4-methylpyrimidine-5-carboxylate,Canonical SMILES: CCOC(=O)C1=CN=C(N=C1C)NC2=NC(=CS2)C(C)(C)C,InChI: InChI=1/C15H20N4O2S/c1-6-21-1
[Synonyms]
Maybridge1_003134
Oprea1_233714
ZINC00141670
CD 10188
SR-01000639623-1

[Structure]
Maybridge1_003134,Oprea1_233714,ZINC00141670,CD 10188,SR-01000639623-1

[ Properties Computed from Structure]
Molecular Weight320.4099 [g/mol]
Molecular FormulaC15H20N4O2S
XLogP2.2
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count6
Tautomer Count5
Exact Mass320.130697
MonoIsotopic Mass320.130697
Topological Polar Surface Area77
Heavy Atom Count22
Formal Charge0
Complexity388
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: ethyl
2-[(4-tert-butyl-1,
3-thiazol-2-yl)amino]-4-methylpyrimidine-5-carboxylate
Canonical SMILES: CCOC(=O)C1=CN=C(N=C1C)NC2=NC(=CS2)C(C)(C)C
InChI: InChI=1/C15H20N4O2S/c1-6-21-12(20)10-7-16-13(17-9(10)2)19-14-18-11(8-22-
14)15(3,4)5/h7-8H,6H2,1-5H3,(H,16,17,18,19)/f/h19H

 
本文导航:
  • (1) Maybridge1_003134,Oprea1_233714,ZINC00141670,CD 10188,SR-01000639623-1
  • 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