2(1H)-Pyridinone, 3-amino-4-((3,5-dimethylphenyl)thio)-5-ethyl-6-methyl-
Basic information
- CAS
172469-94-2- Standard SMILES
CCc1c(C)[nH]c(=O)c(N)c1Sc1cc(C)cc(C)c1- InChIKey
SBXYUVDYGNRQAF-UHFFFAOYSA-N- Molecular formula
- C16H20N2OS
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.12963444
Names & identifiers
- Preferred name
- 2(1H)-Pyridinone, 3-amino-4-((3,5-dimethylphenyl)thio)-5-ethyl-6-methyl-
- IUPAC
- 3-amino-4-(3,5-dimethylphenyl)sulfanyl-5-ethyl-6-methyl-1H-pyridin-2-one
Names & synonyms
172469-94-22(1H)-Pyridinone, 3-amino-4-((3,5-dimethylphenyl)thio)-5-ethyl-6-methyl-CHEMBL3362372(1H)-Pyridinone, 3-amino-4-[(3,5-dimethylphenyl)thio]-5-ethyl-6-methyl-SCHEMBL7010909DTXSID40169307BDBM500296623-amino-4-(3,5-dimethylphenyl)sulfanyl-5-ethyl-6-methyl-1H-pyridin-2-one3-Amino-4-(3,5-dimethyl-phenylsulfanyl)-5-ethyl-6-methyl-1H-pyridin-2-one3-Amino-4-[(3,5-dimethylphenyl)sulfanyl]-5-ethyl-6-methylpyridin-2(1H)-one
Database identifiers
- CAS
172469-94-2- PubChem CID
- 464582
- DTXSID
DTXSID40169307- ChEMBL
CHEMBL336237- Nikkaji
- J713.230A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 457
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…