当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00916986 2-[(2R)-3-oxo-4H-1,,4-benzothiazin-2-yl]-N-(4-pyrrolidin-

ZINC00916986 2-[(2R)-3-oxo-4H-1,,4-benzothiazin-2-yl]-N-(4-pyrrolidin-

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:4
摘 要:ZINC00916986 2-[(2R)-3-oxo-4H-1,,4-benzothiazin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide,Canonical SMILES: C1CCN(C1)C2=CC=C(C=C2)NC(=O)CC3C(=O)NC4=CC=CC=C4S3,Isomeric SMILES: C1CCN(C1)C2=CC=C(C=C2)NC(=O)C[C@@H]3C(=O)NC4=CC=CC=C4S3,InChI: InChI=1/C2
[Synonyms]
ZINC00916986
[Structure]
ZINC00916986 2-[(2R)-3-oxo-4H-1,,4-benzothiazin-2-yl]-N-(4-pyrrolidin-

[ Properties Computed from Structure]
Molecular Weight367.46464 [g/mol]
Molecular FormulaC20H21N3O2S
XLogP2.7
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count4
Exact Mass367.135448
MonoIsotopic Mass367.135448
Topological Polar Surface Area61.4
Heavy Atom Count26
Formal Charge0
Complexity515
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-[(2R)-3-oxo-4H-1,
4-benzothiazin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
Canonical SMILES: C1CCN(C1)C2=CC=C(C=C2)NC(=O)CC3C(=O)NC4=CC=CC=C4S3
Isomeric SMILES: C1CCN(C1)C2=CC=C(C=C2)NC(=O)C[C@@H]3C(=O)NC4=CC=CC=C4S3
InChI: InChI=1/C20H21N3O2S/c24-19(13-18-20(25)22-16-5-1-2-6-17(16)26-18)21-14-
7-9-15(10-8-14)23-11-3-4-12-23/h1-2,5-10,18H,3-4,11-13H2,(H,21,24)(H,22,
25)/t18-/m1/s1/f/h21-22H

 
本文导航:
  • (1) ZINC00916986 2-[(2R)-3-oxo-4H-1,,4-benzothiazin-2-yl]-N-(4-pyrrolidin-
  • 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