4-bromo-2-methyl-1-methylsulfonyl-2H-1-benzazepin-5-one
Basic information
- CAS
34129-63-0- Standard SMILES
CC1C=C(Br)C(=O)c2ccccc2N1S(C)(=O)=O- InChIKey
DBGRUUWNESKQGC-UHFFFAOYSA-N- Molecular formula
- C12H12BrNO3S
- Average molar mass
- 330.2 g/mol
- Monoisotopic mass
- 328.97213
Names & identifiers
- Preferred name
- 4-bromo-2-methyl-1-methylsulfonyl-2H-1-benzazepin-5-one
- IUPAC
- 4-bromo-2-methyl-1-methylsulfonyl-2H-1-benzazepin-5-one
Names & synonyms
34129-63-04-bromo-2-methyl-1-methylsulfonyl-2H-1-benzazepin-5-oneNSC163839DTXSID70303979NSC-1638395H-1-Benzazepin-5-one,2-dihydro-2-methyl-1-(methyulsulfonyl)-4-Bromo-1-(methanesulfonyl)-2-methyl-1,2-dihydro-5H-1-benzazepin-5-one
Database identifiers
- CAS
34129-63-0- PubChem CID
- 294791
- DTXSID
DTXSID70303979
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…