AC1NEB1N
9-(2-ethoxyphenyl)-6-(4-methoxyphenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: AK-968/15361041|3-(2-ethoxyphenyl)-11-(4-methoxyphenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|9-(2-ethoxyphenyl)-6-(4-methoxyphenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CAS: 354538-93-5
| Molecular Formula | C30H27F3N2O4 |
|---|---|
| Molecular Weight | 536.1923 g/mol |
| LogP | 6.5568 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 536.1923 |
| Monoisotopic Mass | 536.1923 |
| Heavy Atoms | 39 |
| Complexity | 1432.62 |
Chemical Identifiers
| CAS Number | 354538-93-5 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C(F)(F)F)C5=CC=C(C=C5)OC)C(=O)C2 |
Product Overview
AC1NEB1N (CAS 354538-93-5), with molecular formula C30H27F3N2O4 and molecular weight 536.1923 g/mol. IUPAC: 9-(2-ethoxyphenyl)-6-(4-methoxyphenyl)-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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