5-cyano-1-(3,4-dimethylphenyl)-4-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
Chemical Structure Depiction of
5-cyano-1-(3,4-dimethylphenyl)-4-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
5-cyano-1-(3,4-dimethylphenyl)-4-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
Compound characteristics
| Compound ID: | 5637-0077 |
| Compound Name: | 5-cyano-1-(3,4-dimethylphenyl)-4-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid |
| Molecular Weight: | 283.28 |
| Molecular Formula: | C15 H13 N3 O3 |
| Smiles: | CC1=C(C#N)C(N(c2ccc(C)c(C)c2)N=C1C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2471 |
| logD: | -6.5119 |
| logSw: | -2.288 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.784 |
| InChI Key: | BOIWAJNZSPOMHN-UHFFFAOYSA-N |