当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00712073 methyl,3-[[(2R)-2-(3-cyano-4,,6-dimethylpyridin-2-yl)sulf

ZINC00712073 methyl,3-[[(2R)-2-(3-cyano-4,,6-dimethylpyridin-2-yl)sulf

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:1
摘 要:ZINC00712073 methyl,3-[[(2R)-2-(3-cyano-4,,6-dimethylpyridin-2-yl)sulfanylpropanoyl]amino]-4-methylthiophene-2-,carboxylate,Canonical SMILES: CC1=CC(=NC(=C1C#N)SC(C)C(=O)NC2=C(SC=C2C)C(=O)OC)C,Isomeric SMILES: CC1=CC(=NC(=C1C#N)S[C@H](C)C(=O)NC2=C(SC
[Synonyms]
ZINC00712073
[Structure]
ZINC00712073 methyl,3-[[(2R)-2-(3-cyano-4,,6-dimethylpyridin-2-yl)sulf

[ Properties Computed from Structure]
Molecular Weight389.49176 [g/mol]
Molecular FormulaC18H19N3O3S2
XLogP2.7
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count6
Tautomer Count3
Exact Mass389.086783
MonoIsotopic Mass389.086783
Topological Polar Surface Area92.1
Heavy Atom Count26
Formal Charge0
Complexity579
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: methyl
3-[[(2R)-2-(3-cyano-4,
6-dimethylpyridin-2-yl)sulfanylpropanoyl]amino]-4-methylthiophene-2-
carboxylate
Canonical SMILES: CC1=CC(=NC(=C1C#N)SC(C)C(=O)NC2=C(SC=C2C)C(=O)OC)C
Isomeric SMILES: CC1=CC(=NC(=C1C#N)S[C@H](C)C(=O)NC2=C(SC=C2C)C(=O)OC)C
InChI: InChI=1/C18H19N3O3S2/c1-9-6-11(3)20-17(13(9)7-19)26-12(4)16(22)21-14-10
(2)8-25-15(14)18(23)24-5/h6,8,12H,1-5H3,(H,21,22)/t12-/m1/s1/f/h21H

 
本文导航:
  • (1) ZINC00712073 methyl,3-[[(2R)-2-(3-cyano-4,,6-dimethylpyridin-2-yl)sulf
  • 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