2(1H)-Pyridinone, 4-((3,5-dimethylphenyl)thio)-5-ethyl-3-nitro-
Basic information
- CAS
172469-77-1- Standard SMILES
CCc1c[nH]c(=O)c([N+](=O)[O-])c1Sc1cc(C)cc(C)c1- InChIKey
BHESGCXYMVULHF-UHFFFAOYSA-N- Molecular formula
- C15H16N2O3S
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.08816355
Names & identifiers
- Preferred name
- 2(1H)-Pyridinone, 4-((3,5-dimethylphenyl)thio)-5-ethyl-3-nitro-
- IUPAC
- 4-(3,5-dimethylphenyl)sulfanyl-5-ethyl-3-nitro-1H-pyridin-2-one
Names & synonyms
172469-77-12(1H)-Pyridinone, 4-((3,5-dimethylphenyl)thio)-5-ethyl-3-nitro-2(1H)-Pyridinone, 4-[(3,5-dimethylphenyl)thio]-5-ethyl-3-nitro-CHEMBL359240SCHEMBL7009673DTXSID30169290BHESGCXYMVULHF-UHFFFAOYSA-N4-(3,5-dimethylphenyl)sulfanyl-5-ethyl-3-nitro-1H-pyridin-2-one4-[(3,5-Dimethylphenyl)sulfanyl]-5-ethyl-3-nitropyridin-2(1H)-one5-ethyl-3-nitro-4-(3', 5'-dimethylphenyl)thio-pyridin-2(1H)-one
Database identifiers
- CAS
172469-77-1- PubChem CID
- 464575
- DTXSID
DTXSID30169290- ChEMBL
CHEMBL359240
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 498
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Related reactions
1 records
Compound notes
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