3-Acetyl-7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
Basic information
- Standard SMILES
CC(=O)N1CCc2ccc(S(C)(=O)=O)cc2CC1- InChIKey
UHEOEGWNPJGBRI-UHFFFAOYSA-N- Molecular formula
- C13H17NO3S
- Average molar mass
- 267.35 g/mol
Names & identifiers
- Preferred name
- 3-Acetyl-7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
- IUPAC
- 1-(7-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
Names & synonyms
SCHEMBL4035842UHEOEGWNPJGBRI-UHFFFAOYSA-N3-Acetyl-7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine3-acetyl-7-methylsulphonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
Database identifiers
- PubChem CID
- 11265634
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 412
Related reactions
6 records
Compound notes
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