3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(o-(difluoromethylthio)phenyl)-2,6-dimethyl-, diethyl ester
Basic information
- CAS
84761-73-9- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1SC(F)F- InChIKey
CDIZDUSIQRBOEQ-UHFFFAOYSA-N- Molecular formula
- C20H23F2NO4S
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.13158571
Names & identifiers
- Preferred name
- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(o-(difluoromethylthio)phenyl)-2,6-dimethyl-, diethyl ester
- IUPAC
- diethyl 4-[2-(difluoromethylsulfanyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- 2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-(difluoromethylthio)phenyl)-1,4 -dihydropyridine
- Molecular weight
- 0
Names & synonyms
84761-73-93,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(o-(difluoromethylthio)phenyl)-2,6-dimethyl-, diethyl ester2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-(difluoromethylthio)phenyl)-1,4-dihydropyridineDTXSID80233793RefChem:272163DTXCID101562842,6-Dimethyl-3,5-Diethoxycarbonyl-4-(2-(Difluoromethylthio)Phenyl)-1,4 -DihydropyridineDiethyl 4-{2-[(difluoromethyl)sulfanyl]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-(difluoromethylthio)phenyl)-1,4 -dihydropyridine
Database identifiers
- CAS
84761-73-9- PubChem CID
- 3069484
- DTXSID
DTXSID80233793- Nikkaji
- J66.586J
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 623
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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