Basic information
- Standard SMILES
COc1cc(-n2nc(-c3c(F)cccc3Cl)[nH]c2=O)ccc1C#Cc1ccc(C(F)(F)F)cc1Cl- InChIKey
NXAQKZNUCHTYPH-UHFFFAOYSA-N- Molecular formula
- C24H13Cl2F4N3O2
- Average molar mass
- 522.3 g/mol
Names & identifiers
- Preferred name
- 1-(4-((2-Chloro-4-(trifluoromethyl)phenyl)ethynyl)-3-methoxyphenyl)-3-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-5(4H)-one
- IUPAC
- 5-(2-chloro-6-fluorophenyl)-2-[4-[2-[2-chloro-4-(trifluoromethyl)phenyl]ethynyl]-3-methoxyphenyl]-4H-1,2,4-triazol-3-one
Names & synonyms
1-(4-((2-Chloro-4-(trifluoromethyl)phenyl)ethynyl)-3-methoxyphenyl)-3-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-5(4H)-oneSCHEMBL15540958
Database identifiers
- PubChem CID
- 136644855
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 889
Related reactions
2 records
Compound notes
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