当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_296098,Oprea1_810974,MLS000026878,ZINC00880048,BAS 02809923,SMR

Oprea1_296098,Oprea1_810974,MLS000026878,ZINC00880048,BAS 02809923,SMR

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:7
摘 要:Oprea1_296098,Oprea1_810974,MLS000026878,ZINC00880048,BAS 02809923,SMR000122890,2-[(4-Isopropyl-phenyl)-methanesulfonyl-amino]-N-[4-(morpholine-4-sulfonyl)-phenyl]-acetamide, 2-[methylsulfonyl-(4-propan-2-ylphenyl)amino]-N-(4-morpholin-4-,ylsulfonylp
[Synonyms]
Oprea1_296098
Oprea1_810974
MLS000026878
ZINC00880048
BAS 02809923
SMR000122890
2-[(4-Isopropyl-phenyl)-methanesulfonyl-amino]-N-[4-(morpholine-4-sulfonyl)-phenyl]-acetamide

[Structure]
Oprea1_296098,Oprea1_810974,MLS000026878,ZINC00880048,BAS 02809923,SMR

[ Properties Computed from Structure]
Molecular Weight495.61216 [g/mol]
Molecular FormulaC22H29N3O6S2
XLogP2.7
H-Bond Donor1
H-Bond Acceptor8
Rotatable Bond Count8
Tautomer Count2
Exact Mass495.149777
MonoIsotopic Mass495.149777
Topological Polar Surface Area113
Heavy Atom Count33
Formal Charge0
Complexity844
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: 2-[methylsulfonyl-(4-propan-2-ylphenyl)amino]-N-(4-morpholin-4-
ylsulfonylphenyl)acetamide
Canonical SMILES: CC(C)C1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C
InChI: InChI=1/C22H29N3O6S2/c1-17(2)18-4-8-20(9-5-18)25(32(3,
27)28)16-22(26)23-19-6-10-21(11-7-19)33(29,
30)24-12-14-31-15-13-24/h4-11,17H,12-16H2,1-3H3,(H,23,26)/f/h23H

 
本文导航:
  • (1) Oprea1_296098,Oprea1_810974,MLS000026878,ZINC00880048,BAS 02809923,SMR
  • 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