3-Pyridinecarboxylic acid, 4-((3,5-dimethylphenyl)thio)-5-ethyl-1,2-dihydro-6-methyl-2-oxo-, ethyl ester
Basic information
- CAS
172469-91-9- Standard SMILES
CCOC(=O)c1c(Sc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O- InChIKey
HDCVUVBODUPMJA-UHFFFAOYSA-N- Molecular formula
- C19H23NO3S
- Average molar mass
- 345.5 g/mol
- Monoisotopic mass
- 345.13986477
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 4-((3,5-dimethylphenyl)thio)-5-ethyl-1,2-dihydro-6-methyl-2-oxo-, ethyl ester
- IUPAC
- ethyl 4-(3,5-dimethylphenyl)sulfanyl-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate
Names & synonyms
172469-91-9CHEMBL3574093-Pyridinecarboxylic acid, 4-((3,5-dimethylphenyl)thio)-5-ethyl-1,2-dihydro-6-methyl-2-oxo-, ethyl ester3-Pyridinecarboxylic acid, 4-[(3,5-dimethylphenyl)thio]-5-ethyl-1,2-dihydro-6-methyl-2-oxo-, ethyl esterSCHEMBL7010610DTXSID60169304HDCVUVBODUPMJA-UHFFFAOYSA-NBDBM50029663ethyl 4-(3,5-dimethylphenyl)sulfanyl-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylateethyl 4-[(3,5-dimethylphenyl)sulfanyl]-5-ethyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate3-(EtOCO)-2-Pyridinone, 4-PhS deriv.5-ethyl-6-methyl-3-carbethoxy-4-(3', 5'-dimethylphenyl)thio-pyridin-2(1H)-one
Show more names
5-Ethyl-6-methyl-3-ethoxycarbonyl-4-[(3',5'-dimethylphenyl)thio]pyridin-2(1H)-one4-(3,5-Dimethyl-phenylsulfanyl)-5-ethyl-6-methyl-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid ethyl ester
Database identifiers
- CAS
172469-91-9- PubChem CID
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 569
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Related reactions
1 records
Compound notes
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