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Basic information
- Standard SMILES
O=C(Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2F)c1=O)NCCc1ccccc1C(F)(F)F- InChIKey
SDVMIBWNEFUZHC-UHFFFAOYSA-N- Molecular formula
- C26H21ClF4N4O2
- Average molar mass
- 532.9 g/mol
- Monoisotopic mass
- 532.1289163
Names & identifiers
- Preferred name
- 2-[3-(4-chlorophenyl)-4-(2-fluorobenzyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[2-(2-trifluoromethyl-phenyl)ethyl]-acetamide
- IUPAC
- 2-[3-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]-5-oxo-1,2,4-triazol-1-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]acetamide
Names & synonyms
2-[3-(4-chlorophenyl)-4-(2-fluorobenzyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[2-(2-trifluoromethyl-phenyl)ethyl]-acetamideSCHEMBL4513232
Database identifiers
- PubChem CID
- 58012011
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 834
Related reactions
2 records
Compound notes
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