Basic information
- Standard SMILES
CC(=O)c1ccc(-c2c(-c3ccc(Cl)cc3)ccn3c(=O)n(Cc4ccc(C(F)(F)F)nc4)nc23)cc1- InChIKey
AYXSDTTYZDADRD-UHFFFAOYSA-N- Molecular formula
- C27H18ClF3N4O2
- Average molar mass
- 522.9 g/mol
Names & identifiers
- Preferred name
- 8-(4-acetylphenyl)-7-(4-chlorophenyl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
- IUPAC
- 8-(4-acetylphenyl)-7-(4-chlorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Names & synonyms
8-(4-acetylphenyl)-7-(4-chlorophenyl)-2-((6-(trifluoromethyl)pyridin-3-yl)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-oneSCHEMBL4476271
Database identifiers
- PubChem CID
- 16005163
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 65.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 994
Related reactions
4 records
Compound notes
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