Basic information
- Standard SMILES
CC1=C(C#N)C(c2cc(F)c(F)c3c(=O)cc(C)oc23)C(C(=O)CC(C)C)=C(C)N1- InChIKey
ZNLSOFJROZDZAM-UHFFFAOYSA-N- Molecular formula
- C23H22F2N2O3
- Average molar mass
- 412.4 g/mol
Names & identifiers
- Preferred name
- 4-(5,6-Difluoro-2-methyl-4-oxo-4H-chromen-8-yl)-2,6-dimethyl-5-(3-methylbutanoyl)-1,4-dihydropyridine-3-carbonitrile
- IUPAC
- 4-(5,6-difluoro-2-methyl-4-oxochromen-8-yl)-2,6-dimethyl-5-(3-methylbutanoyl)-1,4-dihydropyridine-3-carbonitrile
Names & synonyms
SCHEMBL1321462ZNLSOFJROZDZAM-UHFFFAOYSA-N4-(5,6-Difluoro-2-methyl-4-oxo-4H-chromen-8-yl)-2,6-dimethyl-5-(3-methylbutanoyl)-1,4-dihydropyridine-3-carbonitrile
Database identifiers
- PubChem CID
- 15979346
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 909
Related reactions
1 records
Compound notes
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