AC1MW21Y

9-(4-tert-butylphenyl)-5-hexanoyl-6-(4-methylphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Also Known As: 1-[3-(4-tert-butylphenyl)-1-hydroxy-11-(4-methylphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one|3-(4-(tert-butyl)phenyl)-10-hexanoyl-11-(p-tolyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|3-(4-tert-butylphenyl)-10-hexanoyl-11-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|3-[4-(TERT-BUTYL)PHENYL]-10-HEXANOYL-11-(4-METHYLPHENYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE|3-[4-(tert-butyl)phenyl]-10-hexanoyl-11-(4-methylphenyl)-2,3,4-trihydro-5H,11H -benzo[b]benzo[2,1-f]1,4-diazepin-1-one|9-(4-tert-butylphenyl)-5-hexanoyl-6-(4-methylphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Molecular Formula	C36H42N2O2
Molecular Weight	534.32465 g/mol
LogP	8.77342
Topological Polar Surface Area	49.41 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	534.32465
Monoisotopic Mass	534.32465
Heavy Atoms	40
Complexity	1410.4022

Chemical Identifiers

CAS Number	523992-53-2
SMILES	CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)C(C)(C)C)NC4=CC=CC=C41)C5=CC=C(C=C5)C