Basic information
- CAS
15217-86-4- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCc3ccccc3C(=O)C2Br)cc1- InChIKey
CMXKKURPRQZMOI-UHFFFAOYSA-N- Molecular formula
- C17H16BrNO3S
- Average molar mass
- 394.3 g/mol
- Monoisotopic mass
- 393.00343
Names & identifiers
- Preferred name
- 2-Bromo-3-[(4-methylphenyl)sulfonyl]-2,3,4,5-tetrahydro-1h-3-benzazepin-1-one
- IUPAC
- 4-bromo-3-(4-methylphenyl)sulfonyl-2,4-dihydro-1H-3-benzazepin-5-one
Names & synonyms
15217-86-42-bromo-3-[(4-methylphenyl)sulfonyl]-2,3,4,5-tetrahydro-1h-3-benzazepin-1-oneNSC140798DTXSID00301049NSC-1407982-Bromo-3-(4-methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one
Database identifiers
- CAS
15217-86-4- PubChem CID
- 284657
- DTXSID
DTXSID00301049
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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