8-methoxy-7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
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Basic information
- Standard SMILES
COc1cc2c(cc1S(C)(=O)=O)CCNCC2- InChIKey
NFNFRRINEPGHCZ-UHFFFAOYSA-N- Molecular formula
- C12H17NO3S
- Average molar mass
- 255.34 g/mol
Names & identifiers
- Preferred name
- 8-methoxy-7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
- IUPAC
- 8-methoxy-7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
Names & synonyms
SCHEMBL10568117
Database identifiers
- PubChem CID
- 21242876
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 349
Related reactions
2 records
Compound notes
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