2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 2-(噻吩-2-基)-2,3-二氢苯并[b][1,4]硫氮杂-4(5H)-酮

CAS 5871-68-1 MFCD01927811

化学结构图

5871-68-1
SMILES: O=C1CC(c2cccs2)Sc2ccccc2N1

化学属性

Mol. FormulaC13H11NOS2
Mol. Weight261.36
Melting Point159-161 °C

别名和识别编码

Chemical Name2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
CAS Number5871-68-1
Alfabeta NameTHIENYLDIHYDROBENZOTHIAZEPINONE H22231545(())--------,,
MDL NumberMFCD01927811
Chemical Name Translation2-(噻吩-2-基)-2,3-二氢苯并[b][1,4]硫氮杂-4(5H)-酮
LabNetwork Molecule IDLN00148566
PubChem Substance ID4380991
InChIInChI=1S/C13H11NOS2/c15-13-8-12(11-6-3-7-16-11)17-10-5-2-1-4-9(10)14-13/h1-7,12H,8H2,(H,14,15)
Synonym 2-(Thiophen-2-yl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one {LY} 2-(Thiophen-2-yl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one {} {LY} 2-(Thiophen-2-yl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one {} {} {LY} 2-(Thiophen-2-yl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one {} {} {} {LY} 2-(Thiophen-2-yl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one {} {} {} {} {LY} 2-(Thiophen-2-yl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one {} {} {} {} {} {LY} 2-(Thiophen-2-yl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one {} {} {} {} {} {} {LY} 2-(Thiophen-2-yl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one {} {} {} {} {} {} {} {LY} 2-(Thiophen-2-yl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Thiophen-2-yl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one {} {} {} {} {} {} {} {} {} {LY} 2-(Thiophen-2-yl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one {} {} {} {} {} {} {} {} {} {} {LY} 2-(Thiophen-2-yl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5
Canonical SMILESO=C1CC(C2=CC=CS2)SC3=CC=CC=C3N1
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分类

  • {KO} Misc

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
1
Rotatable Bonds
1
H-bond Donors
1
LogP
2

系列性分类

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