Basic information
- Standard SMILES
COc1ccc(Oc2cc(-n3nc(C)n(C(F)F)c3=O)c(F)cc2Cl)nc1- InChIKey
BNEMJTHFUPRZPE-UHFFFAOYSA-N- Molecular formula
- C16H12ClF3N4O3
- Average molar mass
- 400.74 g/mol
Names & identifiers
- Preferred name
- 2-[4-Chloro-2-fluoro-5-(5-methoxypyridin-2-yl)oxyphenyl]-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one
- IUPAC
- 2-[4-chloro-2-fluoro-5-[(5-methoxy-2-pyridinyl)oxy]phenyl]-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one
Names & synonyms
SCHEMBL9633391BNEMJTHFUPRZPE-UHFFFAOYSA-N2-[4-chloro-2-fluoro-5-(5-methoxypyridin-2-yl)oxyphenyl]-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one
Database identifiers
- PubChem CID
- 67896281
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 585
Related reactions
1 records
Compound notes
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