Basic information
- Standard SMILES
CC(=O)NC1CSc2ccccc2NC1=O- InChIKey
YYHVUHBAOWLTGM-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2S
- Average molar mass
- 236.29 g/mol
Names & identifiers
- Preferred name
- 5,1-Benzothiazepine-2-one, 3-acetylamino-
- IUPAC
- N-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)acetamide
Names & synonyms
5,1-Benzothiazepine-2-one, 3-acetylamino-SCHEMBL88533173-acetylamino-2,3-dihydro-1,5-benzothiazepin-4(5H)-oneN-(4-Oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl)acetamide #
Database identifiers
- PubChem CID
- 539362
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 296
Related reactions
2 records
Compound notes
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