3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-, ethyl 2-propenyl ester
Basic information
- CAS
39562-64-6- Standard SMILES
C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1C(F)(F)F- InChIKey
GDVPABWYDPSARA-UHFFFAOYSA-N- Molecular formula
- C21H22F3NO4
- Average molar mass
- 409.4 g/mol
- Monoisotopic mass
- 409.15009267
Names & identifiers
- Preferred name
- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-, ethyl 2-propenyl ester
- IUPAC
- 3-O-ethyl 5-O-prop-2-enyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-, ethyl 2-propenyl ester39562-64-6RefChem:272117SCHEMBL11782100DTXSID90960169Ethyl prop-2-en-1-yl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Database identifiers
- CAS
39562-64-6- PubChem CID
- 217746
- DTXSID
DTXSID90960169
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 724
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…