AC1MEXMU

4-[9-[4-(diethylamino)phenyl]-7-oxo-6-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid

Also Known As: ChemDiv1_005616|Oprea1_846210|HMS602P06|AK-968/15360993|4-{3-[4-(diethylamino)phenyl]-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid|SR-01000450532-1|4-(3-(4-(diethylamino)phenyl)-1-oxo-11-phenyl-3,4-dihydro-1H-dibenzo[b,e][1,4]diazepin-10(2H,5H,11H)-yl)-4-oxobutanoic acid|4-[9-[4-(diethylamino)phenyl]-7-oxo-6-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid|4-{14-[4-(DIETHYLAMINO)PHENYL]-12-OXO-10-PHENYL-2,9-DIAZATRICYCLO[9.4.0.0(3),?]PENTADECA-1(11),3,5,7-TETRAEN-9-YL}-4-OXOBUTANOIC ACID|4-{3-[4-(diethylamino)phenyl]-1-hydroxy-11-phenyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid|4-{3-[4-(diethylamino)phenyl]-1-oxo-11-phenyl(2,3,4-trihydro-5H,11H-benzo[b]be nzo[2,1-f]1,4-diazepin-10-yl)}-4-oxobutanoic acid

Molecular Formula	C33H35N3O4
Molecular Weight	537.26276 g/mol
LogP	6.2982
Topological Polar Surface Area	89.95 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	537.26276
Monoisotopic Mass	537.26276
Heavy Atoms	40
Complexity	1427.5643

Chemical Identifiers

CAS Number	354538-68-4
SMILES	CCN(CC)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)CCC(=O)O)C5=CC=CC=C5)C(=O)C2