Basic information
- Standard SMILES
CSc1ccc(-c2cc(CO)c(=O)n(CC(C)C)n2)cc1- InChIKey
KLRPBIAUELXGMB-UHFFFAOYSA-N- Molecular formula
- C16H20N2O2S
- Average molar mass
- 304.4 g/mol
Names & identifiers
- Preferred name
- 4-hydroxymethyl-2-isobutyl-6-[4-(methylthio)phenyl]-2H-pyridazin-3-one
- IUPAC
- 4-(hydroxymethyl)-2-(2-methylpropyl)-6-(4-methylsulfanylphenyl)pyridazin-3-one
Names & synonyms
SCHEMBL1927158KLRPBIAUELXGMB-UHFFFAOYSA-N4-hydroxymethyl-2-isobutyl-6-[4-(methylthio)phenyl]-2H-pyridazin-3-one
Database identifiers
- PubChem CID
- 21991650
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 438
Related reactions
2 records
Compound notes
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