Basic information
- Standard SMILES
O=c1n(Cc2cn(-c3ccccc3C(F)(F)F)nn2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F- InChIKey
UDHCMKCOYBATNJ-KRWDZBQOSA-N- Molecular formula
- C21H15ClF6N6O2
- Average molar mass
- 532.8 g/mol
Names & identifiers
- Preferred name
- 5-(4-Chlorophenyl)-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-2-({1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
- IUPAC
- 5-(4-chlorophenyl)-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-2-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]-1,2,4-triazol-3-one
Names & synonyms
5-(4-Chlorophenyl)-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-2-({1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-oneSCHEMBL2439956
Database identifiers
- PubChem CID
- 86690933
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 822
Related reactions
1 records
Compound notes
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