Basic information
- CAS
351162-93-1- Standard SMILES
Cc1ccc(C2Nc3ccccc3NC3=C2C(=O)CC(c2ccccc2F)C3)cc1- InChIKey
NELUQOAPNAPINQ-UHFFFAOYSA-N- Molecular formula
- C26H23FN2O
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.17944152
Names & identifiers
- Preferred name
- 9-(2-Fluorophenyl)-6-(4-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
- IUPAC
- 9-(2-fluorophenyl)-6-(4-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
- English name
- 3-(2-fluorophenyl)-11-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
- Molecular formula
- C26H23FN2O
- Molecular weight
- 398.47
Names & synonyms
351162-93-19-(2-fluorophenyl)-6-(4-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one3-(2-fluorophenyl)-11-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-oneOprea1_121436STL047108AKOS001623937AKOS005700651AKOS021993491AK-968/14922073SR-01000451139SR-01000451139-13-(2-fluorophenyl)-11-(4-methylphenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Show more names
1H-Dibenzo[b,e][1,4]diazepin-1-one, 3-(2-fluorophenyl)-2,3,4,5,10,11-hexahydro-11-(4-methylphenyl)-
3-(2-fluorophenyl)-11-(p-tolyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Database identifiers
- CAS
351162-93-1
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 668
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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