Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCOC(=O)C(=CNc1cccn(Cc2ccc(OC)cc2)c1=O)C(=O)OCC- InChIKey
POCJRMFNDAAZCU-UHFFFAOYSA-N- Molecular formula
- C21H24N2O6
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.16343649
Names & identifiers
- Preferred name
- Diethyl 2-((1-(4-methoxybenzyl)-2-oxo-1,2-dihydropyridin-3-ylamino)methylene)malonate
- IUPAC
- diethyl 2-[[[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]amino]methylidene]propanedioate
Names & synonyms
SCHEMBL2265846POCJRMFNDAAZCU-UHFFFAOYSA-Ndiethyl 2-((1-(4-methoxybenzyl)-2-oxo-1,2-dihydropyridin-3-ylamino)methylene)malonate
Database identifiers
- PubChem CID
- 67340511
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 669
Related reactions
5 records
Compound notes
Loading…