当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00247375 (Z)-2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[[(2S)

ZINC00247375 (Z)-2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[[(2S)

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:3
摘 要:ZINC00247375 (Z)-2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[[(2S)-oxolan-2-yl],methyl]prop-2-enamide,Canonical SMILES: CC(C)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NCC2CCCO2)OC,Isomeric SMILES: CC(C)OC1=C(C=C(C=C1)\C=C(\C#N)/C(=O)NC[C@@H]2CCCO2)OC,InChI: In
[Synonyms]
ZINC00247375
[Structure]
ZINC00247375 (Z)-2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[[(2S)

[ Properties Computed from Structure]
Molecular Weight344.40486 [g/mol]
Molecular FormulaC19H24N2O4
XLogP2.7
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count7
Tautomer Count2
Exact Mass344.173607
MonoIsotopic Mass344.173607
Topological Polar Surface Area80.6
Heavy Atom Count25
Formal Charge0
Complexity523
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count1
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (Z)-2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[[(2S)-oxolan-2-yl]
methyl]prop-2-enamide
Canonical SMILES: CC(C)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NCC2CCCO2)OC
Isomeric SMILES: CC(C)OC1=C(C=C(C=C1)\C=C(\C#N)/C(=O)NC[C@@H]2CCCO2)OC
InChI: InChI=1/C19H24N2O4/c1-13(2)25-17-7-6-14(10-18(17)23-3)9-15(11-20)19(22)
21-12-16-5-4-8-24-16/h6-7,9-10,13,16H,4-5,8,12H2,1-3H3,(H,21,
22)/b15-9-/t16-/m0/s1/f/h21H

 
本文导航:
  • (1) ZINC00247375 (Z)-2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[[(2S)
  • 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