Basic information
- Standard SMILES
Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(NC(=O)CC(N)C(F)(F)F)c2c1- InChIKey
ICUVLQDSEXHBSX-UHFFFAOYSA-N- Molecular formula
- C23H23F3N4O3S
- Average molar mass
- 492.5 g/mol
- Monoisotopic mass
- 492.14429627
Names & identifiers
- Preferred name
- 3-Amino-N-[2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-yl]-4,4,4-trifluorobutanamide
- IUPAC
- 3-amino-N-[2-(1,1-dioxo-3,5-dihydro-2H-1lambda6,4-benzothiazepin-4-yl)-6-methylquinolin-4-yl]-4,4,4-trifluorobutanamide
Names & synonyms
3-Amino-N-[2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-yl]-4,4,4-trifluorobutanamideSCHEMBL14692170
Database identifiers
- PubChem CID
- 71255425
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 834
Related reactions
3 records
Compound notes
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