当前位置: 首页 » 资料 » 化学物质数据库 » Oprea1_231755,ASN 04424872, 5-(4-chlorophenyl)-6,7-dimethyl-1-(2-oxo-2

Oprea1_231755,ASN 04424872, 5-(4-chlorophenyl)-6,7-dimethyl-1-(2-oxo-2

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:0
摘 要:Oprea1_231755,ASN 04424872, 5-(4-chlorophenyl)-6,7-dimethyl-1-(2-oxo-2-phenylethyl)-3H-thieno[3,,2-f][1,4]diazepin-2-one,Canonical SMILES: CC1=C(SC2=C1C(=NCC(=O)N2CC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C,InChI: InChI=1/C23H19ClN2O2S/c1-14-15(2)29-23-21(14
[Synonyms]
Oprea1_231755
ASN 04424872

[Structure]
Oprea1_231755,ASN 04424872, 5-(4-chlorophenyl)-6,7-dimethyl-1-(2-oxo-2

[ Properties Computed from Structure]
Molecular Weight422.92716 [g/mol]
Molecular FormulaC23H19ClN2O2S
XLogP3.6
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count2
Exact Mass422.085576
MonoIsotopic Mass422.085576
Topological Polar Surface Area49.7
Heavy Atom Count29
Formal Charge0
Complexity655
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: 5-(4-chlorophenyl)-6,7-dimethyl-1-(2-oxo-2-phenylethyl)-3H-thieno[3,
2-f][1,4]diazepin-2-one
Canonical SMILES: CC1=C(SC2=C1C(=NCC(=O)N2CC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C
InChI: InChI=1/C23H19ClN2O2S/c1-14-15(2)29-23-21(14)22(17-8-10-18(24)11-9-17)
25-12-20(28)26(23)13-19(27)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3

 
本文导航:
  • (1) Oprea1_231755,ASN 04424872, 5-(4-chlorophenyl)-6,7-dimethyl-1-(2-oxo-2
  • 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