当前位置: 首页 » 资料 » 化学物质数据库 » (4S,5R)-4-(4-ethoxybenzoyl)-5-(2-methoxyphenyl)-1-(5-methyl-1,,2-oxaz

(4S,5R)-4-(4-ethoxybenzoyl)-5-(2-methoxyphenyl)-1-(5-methyl-1,,2-oxaz

放大字体  缩小字体 更新日期:2018-11-22  浏览次数:1
摘 要: (4S,5R)-4-(4-ethoxybenzoyl)-5-(2-methoxyphenyl)-1-(5-methyl-1,,2-oxazol-3-yl)pyrrolidine-2,3-dione,Canonical SMILES: CCOC1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)C3=NOC(=C3)C)C4=CC=CC=C4OC,Isomeric SMILES: CCOC1=CC=C(C=C1)C(=O)[C@@H]2[C@@H](N(C(=O)C2=O)C3=N
[Synonyms]

[Structure]
 (4S,5R)-4-(4-ethoxybenzoyl)-5-(2-methoxyphenyl)-1-(5-methyl-1,,2-oxaz

[ Properties Computed from Structure]
Molecular Weight434.44128 [g/mol]
Molecular FormulaC24H22N2O6
XLogP3.1
H-Bond Donor0
H-Bond Acceptor7
Rotatable Bond Count7
Tautomer Count3
Exact Mass434.147786
MonoIsotopic Mass434.147786
Topological Polar Surface Area98.9
Heavy Atom Count32
Formal Charge0
Complexity707
Isotope Atom Count0
Defined Atom StereoCenter Count2
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (4S,5R)-4-(4-ethoxybenzoyl)-5-(2-methoxyphenyl)-1-(5-methyl-1,
2-oxazol-3-yl)pyrrolidine-2,3-dione
Canonical SMILES: CCOC1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)C3=NOC(=C3)C)C4=CC=CC=C4OC
Isomeric SMILES: CCOC1=CC=C(C=C1)C(=O)[C@@H]2[C@@H](N(C(=O)C2=O)C3=NOC(=C3)C)C4=CC=CC=
C4OC
InChI: InChI=1/C24H22N2O6/c1-4-31-16-11-9-15(10-12-16)22(27)20-21(17-7-5-6-8-18
(17)30-3)26(24(29)23(20)28)19-13-14(2)32-25-19/h5-13,20-21H,4H2,
1-3H3/t20-,21-/m0/s1

 
本文导航:
  • (1) (4S,5R)-4-(4-ethoxybenzoyl)-5-(2-methoxyphenyl)-1-(5-methyl-1,,2-oxaz
  • 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