Basic information
- Standard SMILES
O=C(CC(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1cccnc1)c1ccccc1Cl- InChIKey
LQFISVVWABBRBK-UHFFFAOYSA-N- Molecular formula
- C25H15ClF6N4O2
- Average molar mass
- 552.9 g/mol
Names & identifiers
- Preferred name
- 1-[1-(3,5-bis-trifluoromethyl-benzyl)-5-pyridin-3-yl-1H-[1,2,3]triazol-4-yl]-3-(2-chloro-phenyl)-propane-1,3-dione
- IUPAC
- 1-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-pyridin-3-yltriazol-4-yl]-3-(2-chlorophenyl)propane-1,3-dione
Names & synonyms
1-[1-(3,5-bis-trifluoromethyl-benzyl)-5-pyridin-3-yl-1H-[1,2,3]triazol-4-yl]-3-(2-chloro-phenyl)-propane-1,3-dioneSCHEMBL4707155
Database identifiers
- PubChem CID
- 86601249
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 822
Related reactions
3 records
Compound notes
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