Basic information
- Standard SMILES
O=C(Nc1ccn(C[C@H](O)CO)n1)[C@H](CC1CCCC1)N1Cc2c(cccc2C(F)(F)F)C1=O- InChIKey
PZADRYWRACSLDJ-KXBFYZLASA-N- Molecular formula
- C23H27F3N4O4
- Average molar mass
- 480.5 g/mol
Names & identifiers
- Preferred name
- (S)-3-cyclopentyl-N-[1-((S)-2,3-dihydroxy-propyl)-1H-pyrazol-3-yl]-2-(1-oxo-4-trifluoromethyl-1,3-dihydro-isoindol-2-yl)-propionamide
- IUPAC
- (2S)-3-cyclopentyl-N-[1-[(2S)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]propanamide
Names & synonyms
(S)-3-cyclopentyl-N-[1-((S)-2,3-dihydroxy-propyl)-1H-pyrazol-3-yl]-2-(1-oxo-4-trifluoromethyl-1,3-dihydro-isoindol-2-yl)-propionamideSCHEMBL13583848
Database identifiers
- PubChem CID
- 70674802
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 733
Related reactions
2 records
Compound notes
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