当前位置: 首页 » 资料 » 化学物质数据库 » CBMicro_015568,BAS 00342710,BIM-0015481.P001,ST5001467, ethyl,2-amino-

CBMicro_015568,BAS 00342710,BIM-0015481.P001,ST5001467, ethyl,2-amino-

放大字体  缩小字体 更新日期:2018-11-23  浏览次数:5
摘 要:CBMicro_015568,BAS 00342710,BIM-0015481.P001,ST5001467, ethyl,2-amino-4-(3-bromophenyl)-7,7-dimethyl-5-oxo-6,,8-dihydro-4H-chromene-3-carboxylate,Canonical SMILES: CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)Br)C(=O)CC(C2)(C)C)N,InChI: InChI=1/C20H22BrNO4/c1-4
[Synonyms]
CBMicro_015568
BAS 00342710
BIM-0015481.P001
ST5001467

[Structure]
CBMicro_015568,BAS 00342710,BIM-0015481.P001,ST5001467, ethyl,2-amino-

[ Properties Computed from Structure]
Molecular Weight420.29698 [g/mol]
Molecular FormulaC20H22BrNO4
XLogP4.3
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count4
Tautomer Count15
Exact Mass419.073221
MonoIsotopic Mass419.073221
Topological Polar Surface Area78.6
Heavy Atom Count26
Formal Charge0
Complexity679
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: ethyl
2-amino-4-(3-bromophenyl)-7,7-dimethyl-5-oxo-6,
8-dihydro-4H-chromene-3-carboxylate
Canonical SMILES: CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)Br)C(=O)CC(C2)(C)C)N
InChI: InChI=1/C20H22BrNO4/c1-4-25-19(24)17-15(11-6-5-7-12(21)8-11)16-13(23)9-
20(2,3)10-14(16)26-18(17)22/h5-8,15H,4,9-10,22H2,1-3H3

 
本文导航:
  • (1) CBMicro_015568,BAS 00342710,BIM-0015481.P001,ST5001467, ethyl,2-amino-
  • 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