Basic information
- Standard SMILES
C[C@@H](n1cnn(-c2ccc(C(F)(F)F)cc2)c1=O)[C@@]1(c2ccc(F)cc2F)CO1- InChIKey
FZTDYZIMLNUMPQ-ADLMAVQZSA-N- Molecular formula
- C19H14F5N3O2
- Average molar mass
- 411.3 g/mol
- Monoisotopic mass
- 411.10061751
Names & identifiers
- Preferred name
- 4-[(1R,2S)-2-(2,4-difluorophenyl)-2,3-epoxy-1-methylpropyl]-2-(4-trifluoromethylphenyl)-3(2H,4H)-1,2,4-triazolone
- IUPAC
- 4-[(1R)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one
Names & synonyms
4-[(1R,2S)-2-(2,4-difluorophenyl)-2,3-epoxy-1-methylpropyl]-2-(4-trifluoromethylphenyl)-3(2H,4H)-1,2,4-triazoloneSCHEMBL8721230
Database identifiers
- PubChem CID
- 10692962
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 667
Related reactions
2 records
Compound notes
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