7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxy-1-methylethyl)-2-oxo-1-(2,2,2-trifluoroethyl)-1,2-dihydro-1,5-naphthyridine-3-carboxamide
Basic information
- Standard SMILES
CC(CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(F)(F)F)c1=O- InChIKey
BEMQJSNXXQNEST-UHFFFAOYSA-N- Molecular formula
- C21H19F4N3O4
- Average molar mass
- 453.4 g/mol
- Monoisotopic mass
- 453.13116874
Names & identifiers
- Preferred name
- 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxy-1-methylethyl)-2-oxo-1-(2,2,2-trifluoroethyl)-1,2-dihydro-1,5-naphthyridine-3-carboxamide
- IUPAC
- 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(1-hydroxypropan-2-yl)-2-oxo-1-(2,2,2-trifluoroethyl)-1,5-naphthyridine-3-carboxamide
Names & synonyms
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxy-1-methylethyl)-2-oxo-1-(2,2,2-trifluoroethyl)-1,2-dihydro-1,5-naphthyridine-3-carboxamideSCHEMBL5545768
Database identifiers
- PubChem CID
- 69482199
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 737
Related reactions
1 records
Compound notes
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