CBMicro_027966

6-[5-(4-bromophenyl)furan-2-yl]-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Also Known As: CBMicro_027966|CCG-2899|BIM-0027928.P001|AK-968/37055100|6-[5-(4-bromophenyl)furan-2-yl]-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one|6-[5-(4-bromophenyl)-2-furyl]-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one|11-[5-(4-bromophenyl)-2-furyl]-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|11-[5-(4-bromophenyl)furan-2-yl]-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Molecular Formula	C27H22BrF3N2O3
Molecular Weight	558.0766 g/mol
LogP	7.4144
Topological Polar Surface Area	62.55 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	558.0766
Monoisotopic Mass	558.0766
Heavy Atoms	36
Complexity	1389.7454

Chemical Identifiers

CAS Number	354543-69-4
SMILES	CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C(F)(F)F)C4=CC=C(O4)C5=CC=C(C=C5)Br)C(=O)C1)C