Ethyl 5-cyano-4-(5-fluoro-2-methyl-4-oxo-4H-chromen-8-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
Basic information
- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C#N)C1c1ccc(F)c2c(=O)cc(C)oc12- InChIKey
LCVRPANQVYLTCJ-UHFFFAOYSA-N- Molecular formula
- C21H19FN2O4
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.13288525
Names & identifiers
- Preferred name
- Ethyl 5-cyano-4-(5-fluoro-2-methyl-4-oxo-4H-chromen-8-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
- IUPAC
- ethyl 5-cyano-4-(5-fluoro-2-methyl-4-oxochromen-8-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
Names & synonyms
SCHEMBL1320598LCVRPANQVYLTCJ-UHFFFAOYSA-NEthyl 5-cyano-4-(5-fluoro-2-methyl-4-oxo-4H-chromen-8-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
Database identifiers
- PubChem CID
- 15979092
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 848
Related reactions
1 records
Compound notes
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