Basic information
- Standard SMILES
O=C1Nc2ccccc2N(C(=O)CCCBr)c2ccccc21- InChIKey
OFWOMFKIBSXXFC-UHFFFAOYSA-N- Molecular formula
- C17H15BrN2O2
- Average molar mass
- 359.2 g/mol
Names & identifiers
- Preferred name
- 5-(4-bromobutyryl)-5,10-dihydro-11H-dibenzo(b,e)(1,4)-diazepine-11-one
- IUPAC
- 11-(4-bromobutanoyl)-5H-benzo[b][1,4]benzodiazepin-6-one
Names & synonyms
SCHEMBL9594258OFWOMFKIBSXXFC-UHFFFAOYSA-N5-(4-bromobutyryl)-5,10-dihydro-11H-dibenzo(b,e)(1,4)-diazepine-11-one
Database identifiers
- PubChem CID
- 10737151
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 429
Related reactions
1 records
Compound notes
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