Basic information
- Standard SMILES
C[C@@H](c1ccc(Br)cc1)N1CCCC(c2ccccc2)NC1=O- InChIKey
FMTHOYLPBMODBJ-PIVQAISJSA-N- Molecular formula
- C19H21BrN2O
- Average molar mass
- 373.3 g/mol
Names & identifiers
- Preferred name
- 1-((S)-1-(4-bromophenyl)ethyl)-4-phenyl-1,3-diazepan-2-one
- IUPAC
- 1-[(1S)-1-(4-bromophenyl)ethyl]-4-phenyl-1,3-diazepan-2-one
Names & synonyms
SCHEMBL1463826FMTHOYLPBMODBJ-PIVQAISJSA-N1-((S)-1-(4-bromophenyl)ethyl)-4-phenyl-1,3-diazepan-2-one
Database identifiers
- PubChem CID
- 58200041
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 389
Related reactions
1 records
Compound notes
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