Dimethyl 4-{4-[(4-methoxybenzyl)oxy]phenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
Basic information
- CAS
883790-04-3- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OCc2ccc(OC)cc2)cc1- InChIKey
WFHLBVKAICZZKL-UHFFFAOYSA-N- Molecular formula
- C25H27NO6
- Average molar mass
- 437.5 g/mol
- Monoisotopic mass
- 437.18383758
Names & identifiers
- Preferred name
- Dimethyl 4-{4-[(4-methoxybenzyl)oxy]phenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
- IUPAC
- dimethyl 4-[4-[(4-methoxyphenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- Dimethyl 4-{4-[(4-methoxybenzyl)oxy]phenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
- Molecular formula
- C25H27NO6
- Molecular weight
- 437.49
Names & synonyms
AKOS024419024DIMETHYL 4-{4-[(4-METHOXYBENZYL)OXY]PHENYL}-2,6-DIMETHYL-1,4-DIHYDRO-3,5-PYRIDINEDICARBOXYLATE3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-[4-[(4-methoxyphenyl)methoxy]phenyl]-2,6-dimethyl-, 3,5-dimethyl ester
Database identifiers
- CAS
883790-04-3- PubChem CID
- 5226065
- EC Number
- 146-297-1
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 704
Physicochemical properties
- Boiling point
- 577.782 · 577.782±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.185 · 1.185±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.025 · 3.025±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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