3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-1-(4-methoxyphenyl)-2,6-dimethyl-, dimethyl ester
Basic information
- CAS
100507-52-6- Standard SMILES
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(C)=C(C(=O)OC)C1c1ccccc1OC(F)F- InChIKey
VILZDKHHODLYSX-UHFFFAOYSA-N- Molecular formula
- C25H25F2NO6
- Average molar mass
- 473.5 g/mol
- Monoisotopic mass
- 473.16499384
Names & identifiers
- Preferred name
- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-1-(4-methoxyphenyl)-2,6-dimethyl-, dimethyl ester
- IUPAC
- dimethyl 4-[2-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
Names & synonyms
BRN 56663013,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-1-(4-methoxyphenyl)-2,6-dimethyl-, dimethyl ester100507-52-6DTXSID30143353RefChem:272146DTXCID6065844Dimethyl 4-[2-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Database identifiers
- CAS
100507-52-6- PubChem CID
- 3063341
- DTXSID
DTXSID30143353
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 778
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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