Basic information
- Standard SMILES
FC(F)(F)c1ccc2c(c1)CSCCN2- InChIKey
PQMYJSBWCVYKIY-UHFFFAOYSA-N- Molecular formula
- C10H10F3NS
- Average molar mass
- 233.26 g/mol
Names & identifiers
- Preferred name
- 7-Trifluoromethyl-1,2,3,5-tetrahydro-[4,1]benzothiazepine
- IUPAC
- 7-(trifluoromethyl)-1,2,3,5-tetrahydro-4,1-benzothiazepine
Names & synonyms
7-trifluoromethyl-1,2,3,5-tetrahydro-[4,1]benzothiazepineSCHEMBL3381472
Database identifiers
- PubChem CID
- 15965869
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
Related reactions
2 records
Compound notes
Loading…