Basic information
- CAS
24160-08-5- Standard SMILES
Cc1ccc(S(=O)(=O)N2CC(=O)c3ccccc3-c3cc(Br)ccc32)cc1- InChIKey
ZOVLLBZIHDZBJQ-UHFFFAOYSA-N- Molecular formula
- C21H16BrNO3S
- Average molar mass
- 442.3 g/mol
- Monoisotopic mass
- 441.00343
Names & identifiers
- Preferred name
- 2-Bromo-5-[(4-methylphenyl)sulfonyl]-5,6-dihydro-7h-dibenzo[b,d]azepin-7-one
- IUPAC
- 2-bromo-5-(4-methylphenyl)sulfonyl-6H-benzo[d][1]benzazepin-7-one
Names & synonyms
24160-08-52-bromo-5-[(4-methylphenyl)sulfonyl]-5,6-dihydro-7h-dibenzo[b,d]azepin-7-oneNSC137458DTXSID10300523NSC-1374582-Bromo-5-(4-methylbenzene-1-sulfonyl)-5,6-dihydro-7H-dibenzo[b,d]azepin-7-one
Database identifiers
- CAS
24160-08-5- PubChem CID
- 283148
- DTXSID
DTXSID10300523
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 653
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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