AC1MERSG

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

Also Known As: AK-968/37055131|9,9-dimethyl-6-[5-(4-nitrophenyl)furan-2-yl]-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one|9,9-dimethyl-6-[5-(4-nitrophenyl)-2-furyl]-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one|11-(5-{4-nitrophenyl}-2-furyl)-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|3,3-DIMETHYL-11-[5-(4-NITROPHENYL)-2-FURYL]-10-(2,2,2-TRIFLUOROACETYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE|3,3-dimethyl-11-[5-(4-nitrophenyl)furan-2-yl]-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Molecular Formula	C27H22F3N3O5
Molecular Weight	525.1512 g/mol
LogP	6.5601
Topological Polar Surface Area	105.69 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	525.1512
Monoisotopic Mass	525.1512
Heavy Atoms	38
Complexity	1488.0671

Chemical Identifiers

CAS Number	354543-97-8
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)[N+](=O)[O-])C(=O)C1)C