4-(4-((2-Meo-benzyl)oxy)PH)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbonitrile
Basic information
- CAS
883790-29-2- Standard SMILES
COc1ccccc1COc1ccc(C2C(C#N)=C(C)NC(C)=C2C#N)cc1- InChIKey
YMNYYPDOHMSEPW-UHFFFAOYSA-N- Molecular formula
- C23H21N3O2
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.16337692
Names & identifiers
- Preferred name
- 4-(4-((2-Meo-benzyl)oxy)PH)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbonitrile
- IUPAC
- 4-[4-[(2-methoxyphenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
- English name
- 4-(4-((2-MeO-benzyl)oxy)Ph)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbonitrile
- Molecular formula
- C23H21N3O2
- Molecular weight
- 371.43
Names & synonyms
AKOS0244190304-(4-((2-MEO-BENZYL)OXY)PH)-2,6-DIMETHYL-1,4-DIHYDRO-3,5-PYRIDINEDICARBONITRILE3,5-Pyridinedicarbonitrile, 1,4-dihydro-4-[4-[(2-methoxyphenyl)methoxy]phenyl]-2,6-dimethyl-
Database identifiers
- CAS
883790-29-2- PubChem CID
- 4064173
- EC Number
- 146-311-6
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 689
Physicochemical properties
- Boiling point
- 560.574 · 560.574±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.223 · 1.223±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.145 · 1.145±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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