当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_470769,ASN 04370329, 3-[[(1-cyclopentyltetrazol-5-yl)methyl-[(4

Oprea1_470769,ASN 04370329, 3-[[(1-cyclopentyltetrazol-5-yl)methyl-[(4

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:7
摘 要:Oprea1_470769,ASN 04370329, 3-[[(1-cyclopentyltetrazol-5-yl)methyl-[(4-methoxyphenyl)methyl]amino],methyl]-6-ethoxy-1H-quinolin-2-one,Canonical SMILES: CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=C(C=C3)OC)CC4=NN=NN4C5CCCC5,InChI: InChI=1/C27H32N6O3/c1-3-
[Synonyms]
Oprea1_470769
ASN 04370329

[Structure]
Oprea1_470769,ASN 04370329, 3-[[(1-cyclopentyltetrazol-5-yl)methyl-[(4

[ Properties Computed from Structure]
Molecular Weight488.58138 [g/mol]
Molecular FormulaC27H32N6O3
XLogP2.8
H-Bond Donor1
H-Bond Acceptor8
Rotatable Bond Count10
Tautomer Count2
Exact Mass488.253589
MonoIsotopic Mass488.253589
Topological Polar Surface Area94.4
Heavy Atom Count36
Formal Charge0
Complexity752
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: 3-[[(1-cyclopentyltetrazol-5-yl)methyl-[(4-methoxyphenyl)methyl]amino]
methyl]-6-ethoxy-1H-quinolin-2-one
Canonical SMILES: CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=C(C=C3)OC)CC4=NN=NN4C5CCCC5
InChI: InChI=1/C27H32N6O3/c1-3-36-24-12-13-25-20(15-24)14-21(27(34)28-25)17-32
(16-19-8-10-23(35-2)11-9-19)18-26-29-30-31-33(26)22-6-4-5-7-22/h8-15,
22H,3-7,16-18H2,1-2H3,(H,28,34)/f/h28H

 
本文导航:
  • (1) Oprea1_470769,ASN 04370329, 3-[[(1-cyclopentyltetrazol-5-yl)methyl-[(4
  • 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