当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_826921,ASN 03367508, 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[(6-me

Oprea1_826921,ASN 03367508, 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[(6-me

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:9
摘 要:Oprea1_826921,ASN 03367508, 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl),methyl]urea,Canonical SMILES: CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CO3)C(=O)NC4CCCCC4,InChI: InChI=1/C23H27N3O3/c1-16-9-10-21-17(12-16)13-18(22(27)25-2
[Synonyms]
Oprea1_826921
ASN 03367508

[Structure]
Oprea1_826921,ASN 03367508, 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[(6-me

[ Properties Computed from Structure]
Molecular Weight393.47878 [g/mol]
Molecular FormulaC23H27N3O3
XLogP3
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count5
Tautomer Count4
Exact Mass393.205242
MonoIsotopic Mass393.205242
Topological Polar Surface Area74.6
Heavy Atom Count29
Formal Charge0
Complexity629
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-cyclohexyl-1-(furan-2-ylmethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)
methyl]urea
Canonical SMILES: CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CO3)C(=O)NC4CCCCC4
InChI: InChI=1/C23H27N3O3/c1-16-9-10-21-17(12-16)13-18(22(27)25-21)14-26(15-20-
8-5-11-29-20)23(28)24-19-6-3-2-4-7-19/h5,8-13,19H,2-4,6-7,14-15H2,1H3,
(H,24,28)(H,25,27)/f/h24-25H

 
本文导航:
  • (1) Oprea1_826921,ASN 03367508, 3-cyclohexyl-1-(furan-2-ylmethyl)-1-[(6-me
  • 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