当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00882816,ASN 02563618, ethyl,2-[[4-(3-chlorophenyl)-5-(2-methoxyph

ZINC00882816,ASN 02563618, ethyl,2-[[4-(3-chlorophenyl)-5-(2-methoxyph

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:0
摘 要:ZINC00882816,ASN 02563618, ethyl,2-[[4-(3-chlorophenyl)-5-(2-methoxyphenyl)-1,2,,4-triazol-3-yl]sulfanyl]acetate,Canonical SMILES: CCOC(=O)CSC1=NN=C(N1C2=CC(=CC=C2)Cl)C3=CC=CC=C3OC,InChI: InChI=1/C19H18ClN3O3S/c1-3-26-17(24)12-27-19-22-21-18(15-9-4-5
[Synonyms]
ZINC00882816
ASN 02563618

[Structure]
ZINC00882816,ASN 02563618, ethyl,2-[[4-(3-chlorophenyl)-5-(2-methoxyph

[ Properties Computed from Structure]
Molecular Weight403.88252 [g/mol]
Molecular FormulaC19H18ClN3O3S
XLogP6
H-Bond Donor0
H-Bond Acceptor6
Rotatable Bond Count8
Exact Mass403.07574
MonoIsotopic Mass403.07574
Topological Polar Surface Area66.2
Heavy Atom Count27
Formal Charge0
Complexity487
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: ethyl
2-[[4-(3-chlorophenyl)-5-(2-methoxyphenyl)-1,2,
4-triazol-3-yl]sulfanyl]acetate
Canonical SMILES: CCOC(=O)CSC1=NN=C(N1C2=CC(=CC=C2)Cl)C3=CC=CC=C3OC
InChI: InChI=1/C19H18ClN3O3S/c1-3-26-17(24)12-27-19-22-21-18(15-9-4-5-10-16(15)
25-2)23(19)14-8-6-7-13(20)11-14/h4-11H,3,12H2,1-2H3

 
本文导航:
  • (1) ZINC00882816,ASN 02563618, ethyl,2-[[4-(3-chlorophenyl)-5-(2-methoxyph
  • 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