当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_317412,ASN 03017275, 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)

Oprea1_317412,ASN 03017275, 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:0
摘 要:Oprea1_317412,ASN 03017275, 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3-,methylphenyl)acetamide,Canonical SMILES: CC1=CC(=CC=C1)NC(=O)CSC2=NC=C(N2CC3=CC=CO3)C4=CC=C(C=C4)F,InChI: InChI=1/C23H20FN3O2S/c1-16-4-2-5-19(12-16)26-
[Synonyms]
Oprea1_317412
ASN 03017275

[Structure]
Oprea1_317412,ASN 03017275, 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)

[ Properties Computed from Structure]
Molecular Weight421.487203 [g/mol]
Molecular FormulaC23H20FN3O2S
XLogP4.4
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count7
Tautomer Count2
Exact Mass421.126026
MonoIsotopic Mass421.126026
Topological Polar Surface Area60.1
Heavy Atom Count30
Formal Charge0
Complexity561
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: 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(3-
methylphenyl)acetamide
Canonical SMILES: CC1=CC(=CC=C1)NC(=O)CSC2=NC=C(N2CC3=CC=CO3)C4=CC=C(C=C4)F
InChI: InChI=1/C23H20FN3O2S/c1-16-4-2-5-19(12-16)26-22(28)15-30-23-25-13-21(17-
7-9-18(24)10-8-17)27(23)14-20-6-3-11-29-20/h2-13H,14-15H2,1H3,(H,26,
28)/f/h26H

 
本文导航:
  • (1) Oprea1_317412,ASN 03017275, 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)
  • 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