Basic information
- Standard SMILES
Cc1cccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(Cl)c12- InChIKey
BPBZLHXSKYWJRH-UHFFFAOYSA-N- Molecular formula
- C19H17ClN2O2S
- Average molar mass
- 372.9 g/mol
- Monoisotopic mass
- 372.0699267
Names & identifiers
- Preferred name
- 4-(4-Chloro-5-methylquinolin-2-yl)-2,3,4,5-tetrahydro-1,4-benzothiazepine 1,1-dioxide
- IUPAC
- 4-(4-chloro-5-methylquinolin-2-yl)-3,5-dihydro-2H-1lambda6,4-benzothiazepine 1,1-dioxide
Names & synonyms
SCHEMBL15140334BPBZLHXSKYWJRH-UHFFFAOYSA-N4-(4-chloro-5-methylquinolin-2-yl)-2,3,4,5-tetrahydro-1,4-benzothiazepine 1,1-dioxide
Database identifiers
- PubChem CID
- 89713428
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 578
Related reactions
1 records
Compound notes
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