当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_227169,ASN 04369124, 6-ethyl-3-[[[1-(2-methylbutan-2-yl)tetrazo

Oprea1_227169,ASN 04369124, 6-ethyl-3-[[[1-(2-methylbutan-2-yl)tetrazo

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:3
摘 要:Oprea1_227169,ASN 04369124, 6-ethyl-3-[[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl-(2-phenylethyl),amino]methyl]-1H-quinolin-2-one,Canonical SMILES: CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC3=CC=CC=C3)CC4=NN=NN4C(C)(C)CC,InChI: InChI=1/C27H34N6O/c1-5-20-12
[Synonyms]
Oprea1_227169
ASN 04369124

[Structure]
Oprea1_227169,ASN 04369124, 6-ethyl-3-[[[1-(2-methylbutan-2-yl)tetrazo

[ Properties Computed from Structure]
Molecular Weight458.59846 [g/mol]
Molecular FormulaC27H34N6O
XLogP4.1
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count10
Tautomer Count2
Exact Mass458.27941
MonoIsotopic Mass458.27941
Topological Polar Surface Area75.9
Heavy Atom Count34
Formal Charge0
Complexity703
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: 6-ethyl-3-[[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl-(2-phenylethyl)
amino]methyl]-1H-quinolin-2-one
Canonical SMILES: CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCC3=CC=CC=C3)CC4=NN=NN4C(C)(C)CC
InChI: InChI=1/C27H34N6O/c1-5-20-12-13-24-22(16-20)17-23(26(34)28-24)18-32(15-
14-21-10-8-7-9-11-21)19-25-29-30-31-33(25)27(3,4)6-2/h7-13,16-17H,5-6,
14-15,18-19H2,1-4H3,(H,28,34)/f/h28H

 
本文导航:
  • (1) Oprea1_227169,ASN 04369124, 6-ethyl-3-[[[1-(2-methylbutan-2-yl)tetrazo
  • 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