Basic information
- Standard SMILES
CC(CC(=O)O)c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1- InChIKey
GQVFUCFDSDMPOO-UHFFFAOYSA-N- Molecular formula
- C19H16F3N3O3
- Average molar mass
- 391.3 g/mol
Names & identifiers
- Preferred name
- 3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)butanoic acid
- IUPAC
- 3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]butanoic acid
Names & synonyms
3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)butanoic acidSCHEMBL16031641
Database identifiers
- PubChem CID
- 90405458
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 518
Related reactions
3 records
Compound notes
Loading…