当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_102089,ASN 04211727, N-[2,,5-diethoxy-4-(2-methylpropanoylamino

Oprea1_102089,ASN 04211727, N-[2,,5-diethoxy-4-(2-methylpropanoylamino

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:3
摘 要:Oprea1_102089,ASN 04211727, N-[2,,5-diethoxy-4-(2-methylpropanoylamino)phenyl]-3-methyl-1-phenylthieno[4,,5-d]pyrazole-5-carboxamide,Canonical SMILES: CCOC1=CC(=C(C=C1NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4)OCC)NC(=O)C(C)C,InChI: InChI=1/C27H30N4O4S/c1
[Synonyms]
Oprea1_102089
ASN 04211727

[Structure]
Oprea1_102089,ASN 04211727, N-[2,,5-diethoxy-4-(2-methylpropanoylamino

[ Properties Computed from Structure]
Molecular Weight506.6165 [g/mol]
Molecular FormulaC27H30N4O4S
XLogP3.6
H-Bond Donor2
H-Bond Acceptor6
Rotatable Bond Count9
Tautomer Count4
Exact Mass506.198776
MonoIsotopic Mass506.198776
Topological Polar Surface Area94.5
Heavy Atom Count36
Formal Charge0
Complexity749
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-[2,
5-diethoxy-4-(2-methylpropanoylamino)phenyl]-3-methyl-1-phenylthieno[4,
5-d]pyrazole-5-carboxamide
Canonical SMILES: CCOC1=CC(=C(C=C1NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4)OCC)NC(=O)C(C)C
InChI: InChI=1/C27H30N4O4S/c1-6-34-22-15-21(23(35-7-2)14-20(22)28-25(32)16(3)4)
29-26(33)24-13-19-17(5)30-31(27(19)36-24)18-11-9-8-10-12-18/h8-16H,
6-7H2,1-5H3,(H,28,32)(H,29,33)/f/h28-29H

 
本文导航:
  • (1) Oprea1_102089,ASN 04211727, N-[2,,5-diethoxy-4-(2-methylpropanoylamino
  • 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