当前位置: 首页 » 资料 » 化学物质数据库 » 4-[2-[3-methylidene-5-oxo-1-(4-phenyl-1,,3-thiazol-2-yl)pyrazolidin-4

4-[2-[3-methylidene-5-oxo-1-(4-phenyl-1,,3-thiazol-2-yl)pyrazolidin-4

放大字体  缩小字体 更新日期:2018-11-27  浏览次数:3
摘 要: 4-[2-[3-methylidene-5-oxo-1-(4-phenyl-1,,3-thiazol-2-yl)pyrazolidin-4-ylidene]hydrazinyl]benzenesulfonate,Canonical SMILES: C=C1C(=NNC2=CC=C(C=C2)S(=O)(=O)[O-])C(=O)N(N1)C3=NC(=CS3)C4=CC=CC=C4,InChI: InChI=1/C19H15N5O4S2/c1-12-17(22-21-14-7-9-15(10-
[Synonyms]

[Structure]
 4-[2-[3-methylidene-5-oxo-1-(4-phenyl-1,,3-thiazol-2-yl)pyrazolidin-4

[ Properties Computed from Structure]
Molecular Weight440.47556 [g/mol]
Molecular FormulaC19H14N5O4S2-
H-Bond Donor2
H-Bond Acceptor8
Rotatable Bond Count4
Exact Mass440.04872
MonoIsotopic Mass440.04872
Topological Polar Surface Area127
Heavy Atom Count30
Formal Charge-1
Complexity785
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4-[2-[3-methylidene-5-oxo-1-(4-phenyl-1,
3-thiazol-2-yl)pyrazolidin-4-ylidene]hydrazinyl]benzenesulfonate
Canonical SMILES: C=C1C(=NNC2=CC=C(C=C2)S(=O)(=O)[O-])C(=O)N(N1)C3=NC(=CS3)C4=CC=CC=C4
InChI: InChI=1/C19H15N5O4S2/c1-12-17(22-21-14-7-9-15(10-8-14)30(26,
27)28)18(25)24(23-12)19-20-16(11-29-19)13-5-3-2-4-6-13/h2-11,21,23H,1H2,
(H,26,27,28)/p-1/fC19H14N5O4S2/q-1

 
本文导航:
  • (1) 4-[2-[3-methylidene-5-oxo-1-(4-phenyl-1,,3-thiazol-2-yl)pyrazolidin-4
  • 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