Basic information
- Standard SMILES
O=C(Nc1cnccn1)C(CC1CCCC1)N1Cc2c(cccc2C(F)(F)F)C1=O- InChIKey
BXMRFKZJLGMNLG-UHFFFAOYSA-N- Molecular formula
- C21H21F3N4O2
- Average molar mass
- 418.4 g/mol
Names & identifiers
- Preferred name
- 3-cyclopentyl-2-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-pyrazin-2-ylpropanamide
- IUPAC
- 3-cyclopentyl-2-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-pyrazin-2-ylpropanamide
Names & synonyms
SCHEMBL13584400
Database identifiers
- PubChem CID
- 70945235
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 638
Related reactions
1 records
Compound notes
Loading…