当前位置: 首页 » 资料 » 化学物质数据库 » 3-[(R)-(1-cyclopentyltetrazol-5-yl)-diethylaminomethyl]-6-ethyl-1H-,q

3-[(R)-(1-cyclopentyltetrazol-5-yl)-diethylaminomethyl]-6-ethyl-1H-,q

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:10
摘 要: 3-[(R)-(1-cyclopentyltetrazol-5-yl)-diethylaminomethyl]-6-ethyl-1H-,quinolin-2-one,Canonical SMILES: CCC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C4CCCC4)N(CC)CC,Isomeric SMILES: CCC1=CC2=C(C=C1)NC(=O)C(=C2)[C@H](C3=NN=NN3C4CCCC4)N(CC)CC,InChI: InChI=1/C2
[Synonyms]

[Structure]
 3-[(R)-(1-cyclopentyltetrazol-5-yl)-diethylaminomethyl]-6-ethyl-1H-,q

[ Properties Computed from Structure]
Molecular Weight394.5132 [g/mol]
Molecular FormulaC22H30N6O
XLogP2.5
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count7
Tautomer Count2
Exact Mass394.24811
MonoIsotopic Mass394.24811
Topological Polar Surface Area75.9
Heavy Atom Count29
Formal Charge0
Complexity600
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-[(R)-(1-cyclopentyltetrazol-5-yl)-diethylaminomethyl]-6-ethyl-1H-
quinolin-2-one
Canonical SMILES: CCC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C4CCCC4)N(CC)CC
Isomeric SMILES: CCC1=CC2=C(C=C1)NC(=O)C(=C2)[C@H](C3=NN=NN3C4CCCC4)N(CC)CC
InChI: InChI=1/C22H30N6O/c1-4-15-11-12-19-16(13-15)14-18(22(29)23-19)20(27(5-2)
6-3)21-24-25-26-28(21)17-9-7-8-10-17/h11-14,17,20H,4-10H2,1-3H3,(H,23,
29)/t20-/m1/s1/f/h23H

 
本文导航:
  • (1) 3-[(R)-(1-cyclopentyltetrazol-5-yl)-diethylaminomethyl]-6-ethyl-1H-,q
  • 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