当前位置: 首页 » 资料 » 化学物质数据库 » but-2-enedioic acid;,4,6-dimethyl-2-pyridin-4-yl-5,6-dihydro-1,3,4-th

but-2-enedioic acid;,4,6-dimethyl-2-pyridin-4-yl-5,6-dihydro-1,3,4-th

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:0
摘 要: but-2-enedioic acid;,4,6-dimethyl-2-pyridin-4-yl-5,6-dihydro-1,3,4-thiadiazine,Canonical SMILES: CC1CN(N=C(S1)C2=CC=NC=C2)C.C(=CC(=O)O)C(=O)O,InChI: InChI=1/C10H13N3S.C4H4O4/c1-8-7-13(2)12-10(14-8)9-3-5-11-6-4-9;5-3(6)1-,2-4(7)8/h3-6,8H,7H2,1-2H3;1-
[Synonyms]

[Structure]
 but-2-enedioic acid;,4,6-dimethyl-2-pyridin-4-yl-5,6-dihydro-1,3,4-th

[ Properties Computed from Structure]
Molecular Weight323.36748 [g/mol]
Molecular FormulaC14H17N3O4S
XLogP1.217
H-Bond Donor2
H-Bond Acceptor7
Rotatable Bond Count3
Exact Mass323.093977
MonoIsotopic Mass323.093977
Topological Polar Surface Area103
Heavy Atom Count22
Formal Charge0
Complexity342
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count2

[ Descriptors Computed from Structure]
IUPAC Name: but-2-enedioic acid;
4,6-dimethyl-2-pyridin-4-yl-5,6-dihydro-1,3,4-thiadiazine
Canonical SMILES: CC1CN(N=C(S1)C2=CC=NC=C2)C.C(=CC(=O)O)C(=O)O
InChI: InChI=1/C10H13N3S.C4H4O4/c1-8-7-13(2)12-10(14-8)9-3-5-11-6-4-9;5-3(6)1-
2-4(7)8/h3-6,8H,7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/f/h;5,7H

 
本文导航:
  • (1) but-2-enedioic acid;,4,6-dimethyl-2-pyridin-4-yl-5,6-dihydro-1,3,4-th
  • 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