3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(difluoromethoxy)phenyl)-2,6-dimethyl-, dimethyl ester
Basic information
- CAS
84761-71-7- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC(F)F)cc1- InChIKey
FXAPKJSBQQAVQY-UHFFFAOYSA-N- Molecular formula
- C18H19F2NO5
- Average molar mass
- 367.3 g/mol
- Monoisotopic mass
- 367.12312903
Names & identifiers
- Preferred name
- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(difluoromethoxy)phenyl)-2,6-dimethyl-, dimethyl ester
- IUPAC
- dimethyl 4-[4-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- 2,6-Dimethyl-3,5-dimethoxycarbonyl-4-(p-difluoromethoxyphenyl)-1,4-dih ydropyridine
- Molecular weight
- 0
Names & synonyms
84761-71-73,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(difluoromethoxy)phenyl)-2,6-dimethyl-, dimethyl ester2,6-Dimethyl-3,5-dimethoxycarbonyl-4-(p-difluoromethoxyphenyl)-1,4-dihydropyridineDTXSID60233791RefChem:272157DTXCID901562822,6-Dimethyl-3,5-Dimethoxycarbonyl-4-(4-Difluoromethoxyphenyl)-1,4-Dihydropyridinedimethyl 4-[4-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateSCHEMBL112057772,6-Dimethyl-3,5-dimethoxycarbonyl-4-(p-difluoromethoxyphenyl)-1,4-dih ydropyridine
Database identifiers
- CAS
84761-71-7- PubChem CID
- 3069482
- DTXSID
DTXSID60233791- Nikkaji
- J66.583E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 583
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Compound notes
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