Basic information
- Standard SMILES
COc1ccc(CN2CCCC(=O)C(Br)C2=O)cc1- InChIKey
NEJCRJQHIZOSLM-UHFFFAOYSA-N- Molecular formula
- C14H16BrNO3
- Average molar mass
- 326.19 g/mol
Names & identifiers
- Preferred name
- 3-bromodihydro-1-[(4-methoxyphenyl)methyl]-1H-azepine-2,4(3H,5H)-dione
- IUPAC
- 3-bromo-1-[(4-methoxyphenyl)methyl]azepane-2,4-dione
Names & synonyms
1312415-24-9SCHEMBL173296NEJCRJQHIZOSLM-UHFFFAOYSA-NDA-309543-bromodihydro-1-[(4-methoxyphenyl)methyl]-1H-azepine-2,4(3H,5H)-dione
Database identifiers
- PubChem CID
- 66613261
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Related reactions
2 records
Compound notes
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