AC1M1ZNR

2-[[4-(4-chlorophenyl)-3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-6-yl]methyl]benzonitrile

Also Known As: F1601-0079|2-((3-(4-chlorophenyl)-2,4-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1-yl)methyl)benzonitrile|2-{[4-(4-chlorophenyl)-3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2(7)-dien-6-yl]methyl}benzonitrile|2-[[4-(4-chlorophenyl)-3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-6-yl]methyl]benzonitrile|2-{[3-(4-chlorophenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]methyl}benzonitrile

Molecular Formula	C25H20ClN3O2S
Molecular Weight	461.09647 g/mol
LogP	5.05618
Topological Polar Surface Area	67.79 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	461.09647
Monoisotopic Mass	461.09647
Heavy Atoms	32
Complexity	1489.3738

Chemical Identifiers

CAS Number	865655-45-4
SMILES	C1CCC2=C(CC1)SC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4C#N)C5=CC=C(C=C5)Cl