当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00930779,ASN 04446125, 4-methyl-3-propan-2-ylsulfanyl-5-(4-pyrroli

ZINC00930779,ASN 04446125, 4-methyl-3-propan-2-ylsulfanyl-5-(4-pyrroli

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:4
摘 要:ZINC00930779,ASN 04446125, 4-methyl-3-propan-2-ylsulfanyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,,4-triazole,Canonical SMILES: CC(C)SC1=NN=C(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3,InChI: InChI=1/C16H22N4O2S2/c1-12(2)23-16-18-17-15(19(16)3)13-6-8-14(9-7-1
[Synonyms]
ZINC00930779
ASN 04446125

[Structure]
ZINC00930779,ASN 04446125, 4-methyl-3-propan-2-ylsulfanyl-5-(4-pyrroli

[ Properties Computed from Structure]
Molecular Weight366.50148 [g/mol]
Molecular FormulaC16H22N4O2S2
XLogP4.3
H-Bond Donor0
H-Bond Acceptor6
Rotatable Bond Count5
Exact Mass366.118417
MonoIsotopic Mass366.118417
Topological Polar Surface Area68.1
Heavy Atom Count24
Formal Charge0
Complexity509
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: 4-methyl-3-propan-2-ylsulfanyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,
4-triazole
Canonical SMILES: CC(C)SC1=NN=C(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3
InChI: InChI=1/C16H22N4O2S2/c1-12(2)23-16-18-17-15(19(16)3)13-6-8-14(9-7-13)24
(21,22)20-10-4-5-11-20/h6-9,12H,4-5,10-11H2,1-3H3

 
本文导航:
  • (1) ZINC00930779,ASN 04446125, 4-methyl-3-propan-2-ylsulfanyl-5-(4-pyrroli
  • 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