4-(3,4-dimethoxy-2-phenylmethoxyphenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
Basic information
- CAS
30456-32-7- Standard SMILES
COc1ccc(-c2c(C)c(C)[nH]c(=O)c2C#N)c(OCc2ccccc2)c1OC- InChIKey
KVABCLHBOJWIRG-UHFFFAOYSA-N- Molecular formula
- C23H22N2O4
- Average molar mass
- 390.4 g/mol
- Monoisotopic mass
- 390.15795719
Names & identifiers
- Preferred name
- 4-(3,4-dimethoxy-2-phenylmethoxyphenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
- IUPAC
- 4-(3,4-dimethoxy-2-phenylmethoxyphenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
Names & synonyms
NSC11065130456-32-7DTXSID20329285NSC-110651DS-0143883-PYRIDINECARBONITRILE,4-[3,4-DIMETHOXY-2-(PHENYLMETHOXY)PHENYL]-1,2-DIHYDRO-5,6-DIMETHYL-2-OXO-4-[2-(Benzyloxy)-3,4-dimethoxyphenyl]-5,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Database identifiers
- CAS
30456-32-7- PubChem CID
- 419112
- DTXSID
DTXSID20329285
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 726
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Compound notes
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