Basic information
- Standard SMILES
CC(=O)C1=C(C)Nc2cc[nH]c(=O)c2C1c1ccc([N+](=O)[O-])cc1C(F)(F)F- InChIKey
AKPFRCRVHNKNSZ-UHFFFAOYSA-N- Molecular formula
- C18H14F3N3O4
- Average molar mass
- 393.3 g/mol
- Monoisotopic mass
- 393.09364042
Names & identifiers
- Preferred name
- 3-Acetyl-2-methyl-4-[4-nitro-2-(trifluoromethyl)phenyl]-4,6-dihydro-1,6-naphthyridin-5(1H)-one
- IUPAC
- 3-acetyl-2-methyl-4-[4-nitro-2-(trifluoromethyl)phenyl]-4,6-dihydro-1H-1,6-naphthyridin-5-one
Names & synonyms
3-Acetyl-2-methyl-4-[4-nitro-2-(trifluoromethyl)phenyl]-4,6-dihydro-1,6-naphthyridin-5(1H)-oneSCHEMBL2463027
Database identifiers
- PubChem CID
- 59603033
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 823
Related reactions
3 records
Compound notes
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