当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00880755 N-(2,,5-diethoxyphenyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]met

ZINC00880755 N-(2,,5-diethoxyphenyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]met

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:1
摘 要:ZINC00880755 N-(2,,5-diethoxyphenyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl],sulfanylacetamide,Canonical SMILES: CCOC1=CC(=C(C=C1)OCC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4,Isomeric SMILES: CCOC1=CC(=C(C=C1)OCC)NC(=O)CSC2=NC3=CC=CC=C3C(
[Synonyms]
ZINC00880755
[Structure]
ZINC00880755 N-(2,,5-diethoxyphenyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]met

[ Properties Computed from Structure]
Molecular Weight483.57986 [g/mol]
Molecular FormulaC25H29N3O5S
XLogP3.1
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count10
Tautomer Count2
Exact Mass483.182792
MonoIsotopic Mass483.182792
Topological Polar Surface Area89.5
Heavy Atom Count34
Formal Charge0
Complexity735
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: N-(2,
5-diethoxyphenyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]
sulfanylacetamide
Canonical SMILES: CCOC1=CC(=C(C=C1)OCC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4
Isomeric SMILES: CCOC1=CC(=C(C=C1)OCC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C[C@@H]4CCCO4
InChI: InChI=1/C25H29N3O5S/c1-3-31-17-11-12-22(32-4-2)21(14-17)26-23(29)16-34-
25-27-20-10-6-5-9-19(20)24(30)28(25)15-18-8-7-13-33-18/h5-6,9-12,14,18H,
3-4,7-8,13,15-16H2,1-2H3,(H,26,29)/t18-/m0/s1/f/h26H

 
本文导航:
  • (1) ZINC00880755 N-(2,,5-diethoxyphenyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]met
  • 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