当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00937806,A3414/0144836, 1-(2,3-dichlorophenyl)-4-(3,4-dimethoxyphe

ZINC00937806,A3414/0144836, 1-(2,3-dichlorophenyl)-4-(3,4-dimethoxyphe

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:3
摘 要:ZINC00937806,A3414/0144836, 1-(2,3-dichlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine,Canonical SMILES: COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl)OC,InChI: InChI=1/C18H20Cl2N2O4S/c1-25-16-7-6-13(12-17(16)26-2)27(23,,24)22-10-8-21(
[Synonyms]
ZINC00937806
A3414/0144836

[Structure]
ZINC00937806,A3414/0144836, 1-(2,3-dichlorophenyl)-4-(3,4-dimethoxyphe

[ Properties Computed from Structure]
Molecular Weight431.3334 [g/mol]
Molecular FormulaC18H20Cl2N2O4S
XLogP3.7
H-Bond Donor0
H-Bond Acceptor6
Rotatable Bond Count5
Exact Mass430.052083
MonoIsotopic Mass430.052083
Topological Polar Surface Area59.1
Heavy Atom Count27
Formal Charge0
Complexity580
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: 1-(2,3-dichlorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
Canonical SMILES: COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl)OC
InChI: InChI=1/C18H20Cl2N2O4S/c1-25-16-7-6-13(12-17(16)26-2)27(23,
24)22-10-8-21(9-11-22)15-5-3-4-14(19)18(15)20/h3-7,12H,8-11H2,1-2H3

 
本文导航:
  • (1) ZINC00937806,A3414/0144836, 1-(2,3-dichlorophenyl)-4-(3,4-dimethoxyphe
  • 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