Basic information
- Standard SMILES
Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(NC(=O)CC(N3C(=O)c4ccccc4C3=O)C(F)(F)F)c2c1- InChIKey
YTQOJRWGGLKFRH-UHFFFAOYSA-N- Molecular formula
- C31H25F3N4O5S
- Average molar mass
- 622.6 g/mol
- Monoisotopic mass
- 622.14977557
Names & identifiers
- Preferred name
- N-[2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-yl]-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4,4,4-trifluorobutanamide
- IUPAC
- N-[2-(1,1-dioxo-3,5-dihydro-2H-1lambda6,4-benzothiazepin-4-yl)-6-methylquinolin-4-yl]-3-(1,3-dioxoisoindol-2-yl)-4,4,4-trifluorobutanamide
Names & synonyms
N-[2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-yl]-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4,4,4-trifluorobutanamideSCHEMBL14692873SCHEMBL30365672
Database identifiers
- PubChem CID
- 71255879
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
2 records
Compound notes
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