Carbamic acid, (4-((3,5-dimethylphenyl)thio)-1,2-dihydro-5-methyl-2-oxo-3-pyridinyl)-, ethyl ester

HCID 464599

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Basic information

CAS: 172469-69-1
Standard SMILES: CCOC(=O)Nc1c(Sc2cc(C)cc(C)c2)c(C)c[nH]c1=O
InChIKey: WRDWJAVDHNBIFJ-UHFFFAOYSA-N
Molecular formula: C17H20N2O3S
Average molar mass: 332.4 g/mol
Monoisotopic mass: 332.11946368

Names & identifiers

Preferred name: Carbamic acid, (4-((3,5-dimethylphenyl)thio)-1,2-dihydro-5-methyl-2-oxo-3-pyridinyl)-, ethyl ester
IUPAC: ethyl N-[4-(3,5-dimethylphenyl)sulfanyl-5-methyl-2-oxo-1H-pyridin-3-yl]carbamate

Names & synonyms

172469-69-1Carbamic acid, (4-((3,5-dimethylphenyl)thio)-1,2-dihydro-5-methyl-2-oxo-3-pyridinyl)-, ethyl ester5-Methyl-3-(N-(ethoxycarbonyl)amino)-4-((3',5'-dimethylphenyl)thio)pyridin-2(1H)-one5-Methyl-3-[N-(ethoxycarbonyl)amino]-4-[(3',5'-dimethylphenyl)thio]pyridin-2(1H)-oneCarbamic acid, [4-[(3,5-dimethylphenyl)thio]-1,2-dihydro-5-methyl-2-oxo-3-pyridinyl]-, ethyl esterCHEMBL129076DTXSID60169288ethyl N-[4-(3,5-dimethylphenyl)sulfanyl-5-methyl-2-oxo-1H-pyridin-3-yl]carbamate3-(EtOCONH)-2-Pyridinone, 4-PhS deriv.Ethyl {4-[(3,5-dimethylphenyl)sulfanyl]-5-methyl-2-oxo-1,2-dihydropyridin-3-yl}carbamate

Database identifiers

CAS: 172469-69-1
PubChem CID: 464599
DTXSID: DTXSID60169288
ChEMBL: CHEMBL129076
Nikkaji: J713.239E

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 92.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 532

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