当前位置: 首页 » 资料 » 化学物质数据库 » N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3,,5-dimethylphen

N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3,,5-dimethylphen

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:3
摘 要: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3,,5-dimethylphenyl)pyrazine-2-carboxamide,Canonical SMILES: CC1=CC(=CC(=C1)N(C(C2=CC=CC=C2)C(=O)NC3CCCCC3)C(=O)C4=NC=CN=C4)C,Isomeric SMILES: CC1=CC(=CC(=C1)N([C@H](C2=CC=CC=C2)C(=O)NC3CCCCC3)C(=O
[Synonyms]

[Structure]
 N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3,,5-dimethylphen

[ Properties Computed from Structure]
Molecular Weight442.5527 [g/mol]
Molecular FormulaC27H30N4O2
XLogP4.7
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count6
Tautomer Count2
Exact Mass442.236876
MonoIsotopic Mass442.236876
Topological Polar Surface Area75.2
Heavy Atom Count33
Formal Charge0
Complexity634
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: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3,
5-dimethylphenyl)pyrazine-2-carboxamide
Canonical SMILES: CC1=CC(=CC(=C1)N(C(C2=CC=CC=C2)C(=O)NC3CCCCC3)C(=O)C4=NC=CN=C4)C
Isomeric SMILES: CC1=CC(=CC(=C1)N([C@H](C2=CC=CC=C2)C(=O)NC3CCCCC3)C(=O)C4=NC=CN=C4)C
InChI: InChI=1/C27H30N4O2/c1-19-15-20(2)17-23(16-19)31(27(33)24-18-28-13-14-29-
24)25(21-9-5-3-6-10-21)26(32)30-22-11-7-4-8-12-22/h3,5-6,9-10,13-18,22,
25H,4,7-8,11-12H2,1-2H3,(H,30,32)/t25-/m1/s1/f/h30H

 
本文导航:
  • (1) N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3,,5-dimethylphen
  • 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