当前位置: 首页 » 资料 » 化学物质数据库 » (5S)-1-(3-dimethylaminopropyl)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydro

(5S)-1-(3-dimethylaminopropyl)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydro

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:0
摘 要: (5S)-1-(3-dimethylaminopropyl)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-,[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]pyrrolidine-2,3-dione,Canonical SMILES: CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC(=C(C=C3)O)OC)O)OCC(C)C,Isomeric SMILES:
[Synonyms]

[Structure]
 (5S)-1-(3-dimethylaminopropyl)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydro

[ Properties Computed from Structure]
Molecular Weight496.59524 [g/mol]
Molecular FormulaC28H36N2O6
XLogP3.9
H-Bond Donor2
H-Bond Acceptor7
Rotatable Bond Count10
Tautomer Count9
Exact Mass496.257337
MonoIsotopic Mass496.257337
Topological Polar Surface Area99.5
Heavy Atom Count36
Formal Charge0
Complexity797
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (5S)-1-(3-dimethylaminopropyl)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-
[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]pyrrolidine-2,3-dione
Canonical SMILES: CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC(=C(C=C3)O)OC)O)OCC(C)C
Isomeric SMILES: CC1=C(C=CC(=C1)C(=C2[C@@H](N(C(=O)C2=O)CCCN(C)C)C3=CC(=C(C=C3)O)OC)O)OCC
(C)C
InChI: InChI=1/C28H36N2O6/c1-17(2)16-36-22-11-9-20(14-18(22)3)26(32)24-25(19-8-
10-21(31)23(15-19)35-6)30(28(34)27(24)33)13-7-12-29(4)5/h8-11,14-15,17,
25,31-32H,7,12-13,16H2,1-6H3/t25-/m0/s1

 
本文导航:
  • (1) (5S)-1-(3-dimethylaminopropyl)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydro
  • 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