AC1MQD4K

N-(2-bromophenyl)-2-[[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetamide

Also Known As: N-(2-bromophenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide|N-(2-bromophenyl)-2-[3-(4-chlorophenyl)-4-oxo(3,5,6,7-tetrahydrocyclopenta[2,1 -d]pyrimidino[4,5-b]thiophen-2-ylthio)]acetamide|N-(2-bromophenyl)-2-{[11-(4-chlorophenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}acetamide

Molecular Formula	C23H17BrClN3O2S2
Molecular Weight	544.96344 g/mol
LogP	6.0826
Topological Polar Surface Area	63.99 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	544.96344
Monoisotopic Mass	544.96344
Heavy Atoms	32
Complexity	1399.1316

Chemical Identifiers

CAS Number	613227-08-0
SMILES	C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC=CC=C4Br)C5=CC=C(C=C5)Cl