AC1NAJTV

9-(4-chlorophenyl)-5-hexanoyl-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Also Known As: AK-968/41025675|3-(4-chlorophenyl)-10-hexanoyl-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|9-(4-chlorophenyl)-5-hexanoyl-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one|3-(4-chlorophenyl)-10-hexanoyl-11-{3-nitrophenyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Molecular Formula	C31H30ClN3O4
Molecular Weight	543.1925 g/mol
LogP	7.7291
Topological Polar Surface Area	92.55 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	543.1925
Monoisotopic Mass	543.1925
Heavy Atoms	39
Complexity	1450.1979

Chemical Identifiers

CAS Number	445243-94-7
SMILES	CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)Cl)NC4=CC=CC=C41)C5=CC(=CC=C5)[N+](=O)[O-]