5-(4-Nitrobenzoyl)-6 7-dihydro-5H-dibenz[b,d]azepine
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Basic information
- Standard SMILES
O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2-c2ccccc21- InChIKey
KPHABRBUPOSZCT-UHFFFAOYSA-N- Molecular formula
- C21H16N2O3
- Average molar mass
- 344.4 g/mol
Names & identifiers
- Preferred name
- 5-(4-Nitrobenzoyl)-6 7-dihydro-5H-dibenz[b,d]azepine
- IUPAC
- 6,7-dihydrobenzo[d][1]benzazepin-5-yl-(4-nitrophenyl)methanone
Names & synonyms
SCHEMBL8562104KPHABRBUPOSZCT-UHFFFAOYSA-N5-(4-Nitrobenzoyl)-6 7-dihydro-5H-dibenz[b,d]azepine5-(4-Nitrobenzoyl)-6,7-dihydro-5H-dibenz[b,d]azepine
Database identifiers
- PubChem CID
- 54006554
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 524
Related reactions
22 records
Compound notes
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