AC1Q2MCN

2-[[3-(4-bromophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide

Also Known As: 2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide|2-((3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(p-tolyl)acetamide|2-[[3-(4-bromophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide|2-[3-(4-bromophenyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimid in-2-ylthio)]-N-(4-methylphenyl)acetamide|2-{[4-(4-bromophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-(4-methylphenyl)acetamide

Molecular Formula	C25H22BrN3O2S2
Molecular Weight	539.0337 g/mol
LogP	6.12772
Topological Polar Surface Area	63.99 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	539.0337
Monoisotopic Mass	539.0337
Heavy Atoms	33
Complexity	1392.6873

Chemical Identifiers

CAS Number	498545-76-9
SMILES	CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Br