当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_156803,Oprea1_471170,STOCK1S-79220,ZINC04808905,BAS 00669365,2-

Oprea1_156803,Oprea1_471170,STOCK1S-79220,ZINC04808905,BAS 00669365,2-

放大字体  缩小字体 更新日期:2018-11-23  浏览次数:4
摘 要:Oprea1_156803,Oprea1_471170,STOCK1S-79220,ZINC04808905,BAS 00669365,2-[(4-Acetylamino-benzenesulfonyl)-carbamoylmethyl-amino]-acetamide, N-[4-[bis(2-amino-2-oxoethyl)sulfamoyl]phenyl]acetamide,Canonical SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N)
[Synonyms]
Oprea1_156803
Oprea1_471170
STOCK1S-79220
ZINC04808905
BAS 00669365
2-[(4-Acetylamino-benzenesulfonyl)-carbamoylmethyl-amino]-acetamide

[Structure]
Oprea1_156803,Oprea1_471170,STOCK1S-79220,ZINC04808905,BAS 00669365,2-

[ Properties Computed from Structure]
Molecular Weight328.34424 [g/mol]
Molecular FormulaC12H16N4O5S
XLogP-2.3
H-Bond Donor3
H-Bond Acceptor6
Rotatable Bond Count7
Tautomer Count6
Exact Mass328.08414
MonoIsotopic Mass328.08414
Topological Polar Surface Area153
Heavy Atom Count22
Formal Charge0
Complexity518
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-[4-[bis(2-amino-2-oxoethyl)sulfamoyl]phenyl]acetamide
Canonical SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N)CC(=O)N
InChI: InChI=1/C12H16N4O5S/c1-8(17)15-9-2-4-10(5-3-9)22(20,
21)16(6-11(13)18)7-12(14)19/h2-5H,6-7H2,1H3,(H2,13,18)(H2,14,19)(H,15,
17)/f/h15H,13-14H2

 
本文导航:
  • (1) Oprea1_156803,Oprea1_471170,STOCK1S-79220,ZINC04808905,BAS 00669365,2-
  • 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