当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00955624,ST5197051, 3-[(2-chloro-6-fluorophenyl)methyl]-5-phenylth

ZINC00955624,ST5197051, 3-[(2-chloro-6-fluorophenyl)methyl]-5-phenylth

放大字体  缩小字体 更新日期:2018-11-26  浏览次数:6
摘 要:ZINC00955624,ST5197051, 3-[(2-chloro-6-fluorophenyl)methyl]-5-phenylthieno[3,2-e]pyrimidin-4-one,Canonical SMILES: C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=C(C=CC=C4Cl)F,InChI: InChI=1/C19H12ClFN2OS/c20-15-7-4-8-16(21)13(15)9-23-11-22-18-17(19(23),24)1
[Synonyms]
ZINC00955624
ST5197051

[Structure]
ZINC00955624,ST5197051, 3-[(2-chloro-6-fluorophenyl)methyl]-5-phenylth

[ Properties Computed from Structure]
Molecular Weight370.827783 [g/mol]
Molecular FormulaC19H12ClFN2OS
XLogP4.5
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count3
Exact Mass370.03429
MonoIsotopic Mass370.03429
Topological Polar Surface Area32.7
Heavy Atom Count25
Formal Charge0
Complexity528
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: 3-[(2-chloro-6-fluorophenyl)methyl]-5-phenylthieno[3,2-e]pyrimidin-4-one
Canonical SMILES: C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=C(C=CC=C4Cl)F
InChI: InChI=1/C19H12ClFN2OS/c20-15-7-4-8-16(21)13(15)9-23-11-22-18-17(19(23)
24)14(10-25-18)12-5-2-1-3-6-12/h1-8,10-11H,9H2

 
本文导航:
  • (1) ZINC00955624,ST5197051, 3-[(2-chloro-6-fluorophenyl)methyl]-5-phenylth
  • 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