3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(o-((difluoromethyl)sulfonyl)phenyl)-2,6-dimethyl-, diethyl ester
Basic information
- CAS
84761-75-1- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1S(=O)(=O)C(F)F- InChIKey
VPODHCPLXLSTOD-UHFFFAOYSA-N- Molecular formula
- C20H23F2NO6S
- Average molar mass
- 443.5 g/mol
- Monoisotopic mass
- 443.12141495
Names & identifiers
- Preferred name
- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(o-((difluoromethyl)sulfonyl)phenyl)-2,6-dimethyl-, diethyl ester
- IUPAC
- diethyl 4-[2-(difluoromethylsulfonyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- 2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1 ,4-dihydropyridine
- Molecular formula
- C20H23F2NO6S
- Molecular weight
- 443.465
Names & synonyms
84761-75-12,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1,4-dihydropyridine3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(o-((difluoromethyl)sulfonyl)phenyl)-2,6-dimethyl-, diethyl esterDTXSID00233795RefChem:272161DTXCID30156286Z56766118Diethyl 4-[2-(difluoromethanesulfonyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate2,6-Dimethyl-3,5-diethoxycarbonyl-4-(o-difluoromethylsulfonylphenyl)-1 ,4-dihydropyridine
Database identifiers
- CAS
84761-75-1- PubChem CID
- 3069486
- DTXSID
DTXSID00233795- Nikkaji
- J66.584C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 804
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Compound notes
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