当前位置: 首页 » 资料 » 化学物质数据库 » ASN 04457796 N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,4,,5-trimethoxy

ASN 04457796 N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,4,,5-trimethoxy

放大字体  缩小字体 更新日期:2018-05-08  浏览次数:2
摘 要:ASN 04457796 N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,4,,5-trimethoxy-N-(3-morpholin-4-ylpropyl)benzamide,Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)N(CCCN2CCOCC2)C3=NC(=CS3)C4=CC=C(C=C4)Cl,InChI: InChI=1/C26H30ClN3O5S/c1-32-22-15-19(16-23(33-2)24(
[Synonyms]
ASN 04457796
[Structure]
ASN 04457796 N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,4,,5-trimethoxy

[ Properties Computed from Structure]
Molecular Weight532.0515 [g/mol]
Molecular FormulaC26H30ClN3O5S
XLogP3.7
H-Bond Donor0
H-Bond Acceptor7
Rotatable Bond Count10
Exact Mass531.159469
MonoIsotopic Mass531.159469
Topological Polar Surface Area73.4
Heavy Atom Count36
Formal Charge0
Complexity666
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-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,4,
5-trimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)N(CCCN2CCOCC2)C3=NC(=CS3)C4=CC=C(C=C4)Cl
InChI: InChI=1/C26H30ClN3O5S/c1-32-22-15-19(16-23(33-2)24(22)34-3)25(31)30(10-
4-9-29-11-13-35-14-12-29)26-28-21(17-36-26)18-5-7-20(27)8-6-18/h5-8,
15-17H,4,9-14H2,1-3H3

 
本文导航:
  • (1) ASN 04457796 N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3,4,,5-trimethoxy
  • 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