当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00922141 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-1-[(3R)-3-me

ZINC00922141 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-1-[(3R)-3-me

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:1
摘 要:ZINC00922141 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-1-[(3R)-3-methylpiperidin-,1-yl]ethanone,Canonical SMILES: CC1CCCN(C1)C(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=CC=C4,Isomeric SMILES: C[C@@H]1CCCN(C1)C(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=CC=C4,InC
[Synonyms]
ZINC00922141
[Structure]
ZINC00922141 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-1-[(3R)-3-me

[ Properties Computed from Structure]
Molecular Weight395.492983 [g/mol]
Molecular FormulaC22H22FN3OS
XLogP4.3
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count4
Exact Mass395.146761
MonoIsotopic Mass395.146761
Topological Polar Surface Area46.1
Heavy Atom Count28
Formal Charge0
Complexity530
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-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-1-[(3R)-3-methylpiperidin-
1-yl]ethanone
Canonical SMILES: CC1CCCN(C1)C(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=CC=C4
Isomeric SMILES: C[C@@H]1CCCN(C1)C(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=CC=C4
InChI: InChI=1/C22H22FN3OS/c1-15-6-5-11-26(13-15)20(27)14-28-22-18-12-17(23)9-
10-19(18)24-21(25-22)16-7-3-2-4-8-16/h2-4,7-10,12,15H,5-6,11,13-14H2,
1H3/t15-/m1/s1

 
本文导航:
  • (1) ZINC00922141 2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanyl-1-[(3R)-3-me
  • 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