当前位置: 首页 » 资料 » 化学物质数据库 » STOCK2S-46308,ZINC02302283,BIM-0045994.P001, (4Z)-4-[(1-acetyl-3-pheny

STOCK2S-46308,ZINC02302283,BIM-0045994.P001, (4Z)-4-[(1-acetyl-3-pheny

放大字体  缩小字体 更新日期:2018-11-22  浏览次数:11
摘 要:STOCK2S-46308,ZINC02302283,BIM-0045994.P001, (4Z)-4-[(1-acetyl-3-phenylpyrazol-4-yl)methylidene]-2-thiophen-2-yl-1,,3-oxazol-5-one,Canonical SMILES: CC(=O)N1C=C(C(=N1)C2=CC=CC=C2)C=C3C(=O)OC(=N3)C4=CC=CS4,Isomeric SMILES: CC(=O)N1C=C(C(=N1)C2=CC=CC=C
[Synonyms]
STOCK2S-46308
ZINC02302283
BIM-0045994.P001

[Structure]
STOCK2S-46308,ZINC02302283,BIM-0045994.P001, (4Z)-4-[(1-acetyl-3-pheny

[ Properties Computed from Structure]
Molecular Weight363.38982 [g/mol]
Molecular FormulaC19H13N3O3S
XLogP2.9
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count3
Exact Mass363.067762
MonoIsotopic Mass363.067762
Topological Polar Surface Area73.6
Heavy Atom Count26
Formal Charge0
Complexity642
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count1
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (4Z)-4-[(1-acetyl-3-phenylpyrazol-4-yl)methylidene]-2-thiophen-2-yl-1,
3-oxazol-5-one
Canonical SMILES: CC(=O)N1C=C(C(=N1)C2=CC=CC=C2)C=C3C(=O)OC(=N3)C4=CC=CS4
Isomeric SMILES: CC(=O)N1C=C(C(=N1)C2=CC=CC=C2)\C=C/3\C(=O)OC(=N3)C4=CC=CS4
InChI: InChI=1/C19H13N3O3S/c1-12(23)22-11-14(17(21-22)13-6-3-2-4-7-13)10-15-19
(24)25-18(20-15)16-8-5-9-26-16/h2-11H,1H3/b15-10-

 
本文导航:
  • (1) STOCK2S-46308,ZINC02302283,BIM-0045994.P001, (4Z)-4-[(1-acetyl-3-pheny
  • 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