Basic information
- Standard SMILES
Cc1ccc(C(=O)O)cc1-c1cc2cnnc(-c3ccccc3Cl)c2n(C)c1=O- InChIKey
JLGNUYNMYXCQKF-UHFFFAOYSA-N- Molecular formula
- C22H16ClN3O3
- Average molar mass
- 405.8 g/mol
Names & identifiers
- Preferred name
- 3-(8-(2-Chlorophenyl)-1-methyl-2-oxo-1,2-dihydropyrido[3,2-d]pyridazin-3-yl)-4-methylbenzoic acid
- IUPAC
- 3-[8-(2-chlorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methylbenzoic acid
Names & synonyms
SCHEMBL1313572JLGNUYNMYXCQKF-UHFFFAOYSA-N3-(8-(2-chlorophenyl)-1-methyl-2-oxo-1,2-dihydropyrido[3,2-d]pyridazin-3-yl)-4-methylbenzoic acid
Database identifiers
- PubChem CID
- 46855853
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 684
Related reactions
2 records
Compound notes
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