当前位置: 首页 » 资料 » 化学物质数据库 » ZINC00934212,ASN 04479400, N-[(2,,3-dimethoxyphenyl)methyl]-N-(furan-2

ZINC00934212,ASN 04479400, N-[(2,,3-dimethoxyphenyl)methyl]-N-(furan-2

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:7
摘 要:ZINC00934212,ASN 04479400, N-[(2,,3-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-3-methyl-4-(tetrazol-1-,yl)benzenesulfonamide,Canonical SMILES: CC1=C(C=CC(=C1)S(=O)(=O)N(CC2=C(C(=CC=C2)OC)OC)CC3=CC=CO3)N4C=NN=N4,InChI: InChI=1/C22H23N5O5S/c1-16-12-1
[Synonyms]
ZINC00934212
ASN 04479400

[Structure]
ZINC00934212,ASN 04479400, N-[(2,,3-dimethoxyphenyl)methyl]-N-(furan-2

[ Properties Computed from Structure]
Molecular Weight469.51352 [g/mol]
Molecular FormulaC22H23N5O5S
XLogP1.6
H-Bond Donor0
H-Bond Acceptor10
Rotatable Bond Count9
Exact Mass469.14199
MonoIsotopic Mass469.14199
Topological Polar Surface Area113
Heavy Atom Count33
Formal Charge0
Complexity723
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-[(2,
3-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-3-methyl-4-(tetrazol-1-
yl)benzenesulfonamide
Canonical SMILES: CC1=C(C=CC(=C1)S(=O)(=O)N(CC2=C(C(=CC=C2)OC)OC)CC3=CC=CO3)N4C=NN=N4
InChI: InChI=1/C22H23N5O5S/c1-16-12-19(9-10-20(16)27-15-23-24-25-27)33(28,
29)26(14-18-7-5-11-32-18)13-17-6-4-8-21(30-2)22(17)31-3/h4-12,15H,
13-14H2,1-3H3

 
本文导航:
  • (1) ZINC00934212,ASN 04479400, N-[(2,,3-dimethoxyphenyl)methyl]-N-(furan-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