当前位置: 首页 » 资料 » 化学物质数据库 » (2R)-2-[[5-[[(4-chlorophenyl)amino]methyl]-4-phenyl-1,2,,4-triazol-3-

(2R)-2-[[5-[[(4-chlorophenyl)amino]methyl]-4-phenyl-1,2,,4-triazol-3-

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:3
摘 要: (2R)-2-[[5-[[(4-chlorophenyl)amino]methyl]-4-phenyl-1,2,,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide,Canonical SMILES: CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)CNC4=CC=C(C=C4)Cl,Isomeric SMILES: C[C@H](C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)CN
[Synonyms]

[Structure]
 (2R)-2-[[5-[[(4-chlorophenyl)amino]methyl]-4-phenyl-1,2,,4-triazol-3-

[ Properties Computed from Structure]
Molecular Weight463.98238 [g/mol]
Molecular FormulaC24H22ClN5OS
XLogP6.4
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count8
Tautomer Count2
Exact Mass463.123359
MonoIsotopic Mass463.123359
Topological Polar Surface Area71.8
Heavy Atom Count32
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: (2R)-2-[[5-[[(4-chlorophenyl)amino]methyl]-4-phenyl-1,2,
4-triazol-3-yl]sulfanyl]-N-phenylpropanamide
Canonical SMILES: CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)CNC4=CC=C(C=C4)Cl
Isomeric SMILES: C[C@H](C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)CNC4=CC=C(C=C4)Cl
InChI: InChI=1/C24H22ClN5OS/c1-17(23(31)27-20-8-4-2-5-9-20)32-24-29-28-22(30
(24)21-10-6-3-7-11-21)16-26-19-14-12-18(25)13-15-19/h2-15,17,26H,16H2,
1H3,(H,27,31)/t17-/m1/s1/f/h27H

 
本文导航:
  • (1) (2R)-2-[[5-[[(4-chlorophenyl)amino]methyl]-4-phenyl-1,2,,4-triazol-3-
  • 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