5-[(E)-C-[2-(4-chloro-2-methylphenyl)-2-(4-methylsulfonylphenyl)ethyl]-N-hydroxycarbonimidoyl]-1-(2-hydroxyethyl)pyridin-2-one
Basic information
- Standard SMILES
Cc1cc(Cl)ccc1C(C/C(=N\O)c1ccc(=O)n(CCO)c1)c1ccc(S(C)(=O)=O)cc1- InChIKey
OXSBZYKDBUEXKC-WNAAXNPUSA-N- Molecular formula
- C24H25ClN2O5S
- Average molar mass
- 489 g/mol
- Monoisotopic mass
- 488.1172708
Names & identifiers
- Preferred name
- 5-[(E)-C-[2-(4-chloro-2-methylphenyl)-2-(4-methylsulfonylphenyl)ethyl]-N-hydroxycarbonimidoyl]-1-(2-hydroxyethyl)pyridin-2-one
- IUPAC
- 5-[(E)-C-[2-(4-chloro-2-methylphenyl)-2-(4-methylsulfonylphenyl)ethyl]-N-hydroxycarbonimidoyl]-1-(2-hydroxyethyl)pyridin-2-one
Names & synonyms
SCHEMBL369788
Database identifiers
- PubChem CID
- 58043372
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 887
Related reactions
1 records
Compound notes
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