当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_105782,Oprea1_629052,ZINC00923873,ASN 04367554, N-[(6,,7-dimeth

Oprea1_105782,Oprea1_629052,ZINC00923873,ASN 04367554, N-[(6,,7-dimeth

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:5
摘 要:Oprea1_105782,Oprea1_629052,ZINC00923873,ASN 04367554, N-[(6,,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(phenylmethyl),benzenesulfonamide,Canonical SMILES: CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F)C,InChI: InChI=
[Synonyms]
Oprea1_105782
Oprea1_629052
ZINC00923873
ASN 04367554

[Structure]
Oprea1_105782,Oprea1_629052,ZINC00923873,ASN 04367554, N-[(6,,7-dimeth

[ Properties Computed from Structure]
Molecular Weight450.525123 [g/mol]
Molecular FormulaC25H23FN2O3S
XLogP4.7
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count6
Tautomer Count2
Exact Mass450.141342
MonoIsotopic Mass450.141342
Topological Polar Surface Area66.5
Heavy Atom Count32
Formal Charge0
Complexity795
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: N-[(6,
7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(phenylmethyl)
benzenesulfonamide
Canonical SMILES: CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F)C
InChI: InChI=1/C25H23FN2O3S/c1-17-12-20-14-21(25(29)27-24(20)13-18(17)2)16-28
(15-19-6-4-3-5-7-19)32(30,31)23-10-8-22(26)9-11-23/h3-14H,15-16H2,1-2H3,
(H,27,29)/f/h27H

 
本文导航:
  • (1) Oprea1_105782,Oprea1_629052,ZINC00923873,ASN 04367554, N-[(6,,7-dimeth
  • 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