当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_503575,ASN 04370033, 3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5

Oprea1_503575,ASN 04370033, 3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:5
摘 要:Oprea1_503575,ASN 04370033, 3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(thiophen-2-,ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one,Canonical SMILES: CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CC=CS3)CC4=NN=NN4CC5=CC=C(C=C5)OC)C,InChI: InChI=1/
[Synonyms]
Oprea1_503575
ASN 04370033

[Structure]
Oprea1_503575,ASN 04370033, 3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5

[ Properties Computed from Structure]
Molecular Weight500.61522 [g/mol]
Molecular FormulaC27H28N6O2S
XLogP2.9
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count9
Tautomer Count2
Exact Mass500.199445
MonoIsotopic Mass500.199445
Topological Polar Surface Area85.2
Heavy Atom Count36
Formal Charge0
Complexity775
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-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-(thiophen-2-
ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
Canonical SMILES: CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CC=CS3)CC4=NN=NN4CC5=CC=C(C=C5)OC)C
InChI: InChI=1/C27H28N6O2S/c1-18-11-19(2)24-13-21(27(34)28-25(24)12-18)15-32
(16-23-5-4-10-36-23)17-26-29-30-31-33(26)14-20-6-8-22(35-3)9-7-20/h4-
13H,14-17H2,1-3H3,(H,28,34)/f/h28H

 
本文导航:
  • (1) Oprea1_503575,ASN 04370033, 3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5
  • 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