当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00882343 2-[[5-(4-chlorophenyl)-1,3,,4-oxadiazol-2-yl]sulfanyl]-1-

ZINC00882343 2-[[5-(4-chlorophenyl)-1,3,,4-oxadiazol-2-yl]sulfanyl]-1-

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:1
摘 要:ZINC00882343 2-[[5-(4-chlorophenyl)-1,3,,4-oxadiazol-2-yl]sulfanyl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone,Canonical SMILES: CC1CCCN(C1)C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Cl,Isomeric SMILES: C[C@H]1CCCN(C1)C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Cl,InChI: InChI=
[Synonyms]
ZINC00882343
[Structure]
ZINC00882343 2-[[5-(4-chlorophenyl)-1,3,,4-oxadiazol-2-yl]sulfanyl]-1-

[ Properties Computed from Structure]
Molecular Weight351.85102 [g/mol]
Molecular FormulaC16H18ClN3O2S
XLogP4.5
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count4
Exact Mass351.080825
MonoIsotopic Mass351.080825
Topological Polar Surface Area59.2
Heavy Atom Count23
Formal Charge0
Complexity407
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-[[5-(4-chlorophenyl)-1,3,
4-oxadiazol-2-yl]sulfanyl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
Canonical SMILES: CC1CCCN(C1)C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Cl
Isomeric SMILES: C[C@H]1CCCN(C1)C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Cl
InChI: InChI=1/C16H18ClN3O2S/c1-11-3-2-8-20(9-11)14(21)10-23-16-19-18-15(22-16)
12-4-6-13(17)7-5-12/h4-7,11H,2-3,8-10H2,1H3/t11-/m0/s1

 
本文导航:
  • (1) ZINC00882343 2-[[5-(4-chlorophenyl)-1,3,,4-oxadiazol-2-yl]sulfanyl]-1-
  • 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