8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-one
Basic information
- CAS
29247-82-3- Standard SMILES
Cc1ccc(S(=O)(=O)N2CC(=O)CCc3ccc(Cl)cc32)cc1- InChIKey
IXDHOVRVVYQZLL-UHFFFAOYSA-N- Molecular formula
- C17H16ClNO3S
- Average molar mass
- 349.8 g/mol
- Monoisotopic mass
- 349.0539422
Names & identifiers
- Preferred name
- 8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-one
- IUPAC
- 8-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-one
Names & synonyms
29247-82-38-chloro-1-(4-methylphenyl)sulfonyl-4,5-dihydro-2H-1-benzazepin-3-oneNSC163833DTXSID10303973NSC-1638333H-1-Benzazepin-3-one,2,4,5-tetrahydro-1-[(4-methylphenyl)sulfonyl]-8-Chloro-1-(4-methylbenzene-1-sulfonyl)-1,2,4,5-tetrahydro-3H-1-benzazepin-3-one
Database identifiers
- CAS
29247-82-3- PubChem CID
- 294785
- DTXSID
DTXSID10303973
Properties
Computed structural properties
- XLogP
- 3.4
- 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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