AC1MXT39

9-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Also Known As: Oprea1_704306|3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol|3-(4-(tert-butyl)phenyl)-11-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|9-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Molecular Formula	C29H29FN2O
Molecular Weight	440.22638 g/mol
LogP	7.1027
Topological Polar Surface Area	41.13 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	440.22638
Monoisotopic Mass	440.22638
Heavy Atoms	33
Complexity	1219.7268

Chemical Identifiers

CAS Number	497941-27-2
SMILES	CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=C(C=C5)F)C(=O)C2