AC1MER5S
6-[4-(diethylamino)phenyl]-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: AK-968/36804021|6-[4-(diethylamino)phenyl]-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one|11-[4-(diethylamino)phenyl]-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|11-(4-(diethylamino)phenyl)-3,3-dimethyl-10-(2,2,2-trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C27H30F3N3O2 |
|---|---|
| Molecular Weight | 485.229 g/mol |
| LogP | 6.2381 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 485.229 |
| Monoisotopic Mass | 485.229 |
| Heavy Atoms | 35 |
| Complexity | 1164.9391 |
Chemical Identifiers
| CAS Number | 353775-64-1 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2C(=O)C(F)(F)F |
Product Overview
AC1MER5S (CAS 353775-64-1), with molecular formula C27H30F3N3O2 and molecular weight 485.229 g/mol. IUPAC: 6-[4-(diethylamino)phenyl]-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
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