当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_184515,Oprea1_760206,ZINC00853243,BAS 01244657,N-Benzo[1,3]diox

Oprea1_184515,Oprea1_760206,ZINC00853243,BAS 01244657,N-Benzo[1,3]diox

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:1
摘 要:Oprea1_184515,Oprea1_760206,ZINC00853243,BAS 01244657,N-Benzo[1,3]dioxol-5-yl-4-[(4-chloro-benzyl)-methanesulfonyl-amino]-benzamide, N-(1,,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methyl-methylsulfonylamino],benzamide,Canonical SMILES: CS(=O)(=O)N(CC1=
[Synonyms]
Oprea1_184515
Oprea1_760206
ZINC00853243
BAS 01244657
N-Benzo[1,3]dioxol-5-yl-4-[(4-chloro-benzyl)-methanesulfonyl-amino]-benzamide

[Structure]
Oprea1_184515,Oprea1_760206,ZINC00853243,BAS 01244657,N-Benzo[1,3]diox

[ Properties Computed from Structure]
Molecular Weight458.91466 [g/mol]
Molecular FormulaC22H19ClN2O5S
XLogP4.9
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count6
Tautomer Count2
Exact Mass458.07032
MonoIsotopic Mass458.07032
Topological Polar Surface Area84.9
Heavy Atom Count31
Formal Charge0
Complexity714
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: N-(1,
3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methyl-methylsulfonylamino]
benzamide
Canonical SMILES: CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4
InChI: InChI=1/C22H19ClN2O5S/c1-31(27,
28)25(13-15-2-6-17(23)7-3-15)19-9-4-16(5-10-19)22(26)24-18-8-11-20-21
(12-18)30-14-29-20/h2-12H,13-14H2,1H3,(H,24,26)/f/h24H

 
本文导航:
  • (1) Oprea1_184515,Oprea1_760206,ZINC00853243,BAS 01244657,N-Benzo[1,3]diox
  • 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