3-[1,3-benzodioxol-5-yl(1-ethyl-4-hydroxy-2-methyl-6-oxo-1,6-dihydropyridin-3-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2(1H)-one
Basic information
- CAS
883521-31-1- Standard SMILES
CCn1c(C)c(C(c2ccc3c(c2)OCO3)c2c(O)cc(C)n(CC)c2=O)c(O)cc1=O- InChIKey
PHPOLOHHDILWDQ-UHFFFAOYSA-N- Molecular formula
- C24H26N2O6
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.17908655
Names & identifiers
- Preferred name
- 3-[1,3-benzodioxol-5-yl(1-ethyl-4-hydroxy-2-methyl-6-oxo-1,6-dihydropyridin-3-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2(1H)-one
- IUPAC
- 3-[1,3-benzodioxol-5-yl-(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2-one
Names & synonyms
3-[1,3-benzodioxol-5-yl(1-ethyl-4-hydroxy-2-methyl-6-oxo-1,6-dihydropyridin-3-yl)methyl]-1-ethyl-4-hydroxy-6-methylpyridin-2(1H)-oneDTXSID301102187STL231587AKOS002914018AKOS016187383883521-31-13-[1,3-Benzodioxol-5-yl(1-ethyl-1,6-dihydro-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)methyl]-1-ethyl-4-hydroxy-6-methyl-2(1H)-pyridinone
Database identifiers
- CAS
883521-31-1- PubChem CID
- 54677359
- DTXSID
DTXSID301102187
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 946
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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