Basic information
- Standard SMILES
CSc1ccc(-c2cc(C(=O)O)c(=O)n(CC(C)C)n2)cc1- InChIKey
GCSNFZCHHSMVQY-UHFFFAOYSA-N- Molecular formula
- C16H18N2O3S
- Average molar mass
- 318.4 g/mol
Names & identifiers
- Preferred name
- 4-carboxy-2-isobutyl-6-[4-(methylthio)phenyl)-2H-pyridazin-3-one
- IUPAC
- 2-(2-methylpropyl)-6-(4-methylsulfanylphenyl)-3-oxopyridazine-4-carboxylic acid
Names & synonyms
4-carboxy-2-isobutyl-6-[4-(methylthio)phenyl)-2H-pyridazin-3-one4-carboxy-2-isobutyl-6-[4-(methylthio)phenyl]-2H-pyridazin-3-oneSCHEMBL1925245GCSNFZCHHSMVQY-UHFFFAOYSA-N4-carboxy-2-isobutyl-6-[4-(methylthio)-phenyl]-2H-pyridazin-3-one4-carboxy-2-isobutyl-6-[4-(methylthio)-phenyl]-2H-pyrid azin-3-one
Database identifiers
- PubChem CID
- 21991639
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 95.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 506
Related reactions
6 records
Compound notes
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