Basic information
- Standard SMILES
O=C(Nc1ccn(CCO)n1)C(CC1CCCC1)N1Cc2c(cccc2C(F)(F)F)C1=O- InChIKey
SEHRSABYEQEJBT-UHFFFAOYSA-N- Molecular formula
- C22H25F3N4O3
- Average molar mass
- 450.5 g/mol
Names & identifiers
- Preferred name
- 3-cyclopentyl-N-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]propanamide
- IUPAC
- 3-cyclopentyl-N-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]propanamide
Names & synonyms
SCHEMBL13584064
Database identifiers
- PubChem CID
- 70945109
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 686
Related reactions
1 records
Compound notes
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