AC1MFFFF
9,9-dimethyl-5-propanoyl-6-thiophen-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: Oprea1_508469|AB00098211-01|9,9-dimethyl-5-propanoyl-6-thiophen-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one|AK-968/37172016|3,3-dimethyl-10-propionyl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|3,3-dimethyl-10-propionyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|1-[1-hydroxy-3,3-dimethyl-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]propan-1-one|3,3-dimethyl-10-propanoyl-11-(2-thienyl)-2,3,4-trihydro-5H,11H-benzo[b]benzo[2 ,1-f]1,4-diazepin-1-one|3,3-dimethyl-10-propanoyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C22H24N2O2S |
|---|---|
| Molecular Weight | 380.15585 g/mol |
| LogP | 5.3011 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 380.15585 |
| Monoisotopic Mass | 380.15585 |
| Heavy Atoms | 27 |
| Complexity | 927.54926 |
Chemical Identifiers
| CAS Number | 354546-36-4 |
|---|---|
| SMILES | CCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=CS4 |
Product Overview
AC1MFFFF (CAS 354546-36-4), with molecular formula C22H24N2O2S and molecular weight 380.15585 g/mol. IUPAC: 9,9-dimethyl-5-propanoyl-6-thiophen-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.