Basic information
- Standard SMILES
Cn1nc(-c2c(F)cccc2Cl)nc1C(F)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1- InChIKey
MJGWHCDHSTWYTH-UHFFFAOYSA-N- Molecular formula
- C22H13Cl2F5N4O
- Average molar mass
- 515.3 g/mol
Names & identifiers
- Preferred name
- 5-{4-(3-chloro-5-trifluoromethylpyridin-2-yloxy)-alpha-fluorobenzyl}-3-(2-chloro-6-fluorophenyl)-1 methyl-1H-1,2,4-triazole
- IUPAC
- 3-chloro-2-[4-[[5-(2-chloro-6-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]-fluoromethyl]phenoxy]-5-(trifluoromethyl)pyridine
Names & synonyms
5-{4-(3-chloro-5-trifluoromethylpyridin-2-yloxy)-alpha-fluorobenzyl}-3-(2-chloro-6-fluorophenyl)-1 methyl-1H-1,2,4-triazoleSCHEMBL8346812
Database identifiers
- PubChem CID
- 54075328
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 672
Related reactions
2 records
Compound notes
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