Basic information
- Standard SMILES
COCOC(C)C(=O)Cn1c(-c2cccc(C)c2)cc(C(F)(F)F)c(C#N)c1=O- InChIKey
BPPOKBNKKZQUTQ-UHFFFAOYSA-N- Molecular formula
- C20H19F3N2O4
- Average molar mass
- 408.4 g/mol
Names & identifiers
- Preferred name
- 1-(3-Methoxymethoxy-2-oxo-butyl)-2-oxo-6-m-tolyl-4-trifluoromethyl-1,2-dihydro-pyridine-3-carbonitrile
- IUPAC
- 1-[3-(methoxymethoxy)-2-oxobutyl]-6-(3-methylphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
Names & synonyms
1-(3-Methoxymethoxy-2-oxo-butyl)-2-oxo-6-m-tolyl-4-trifluoromethyl-1,2-dihydro-pyridine-3-carbonitrileSCHEMBL2265263
Database identifiers
- PubChem CID
- 67340280
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 763
Related reactions
4 records
Compound notes
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