5-cyano-4-methyl-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydropyridazine-3-carboxylic acid
Chemical Structure Depiction of
5-cyano-4-methyl-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydropyridazine-3-carboxylic acid
5-cyano-4-methyl-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydropyridazine-3-carboxylic acid
Compound characteristics
| Compound ID: | 8013-2453 |
| Compound Name: | 5-cyano-4-methyl-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydropyridazine-3-carboxylic acid |
| Molecular Weight: | 323.23 |
| Molecular Formula: | C14 H8 F3 N3 O3 |
| Smiles: | CC1=C(C#N)C(N(c2cccc(c2)C(F)(F)F)N=C1C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9711 |
| logD: | -6.7878 |
| logSw: | -2.1128 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.784 |
| InChI Key: | WJWXCCGKESEFGQ-UHFFFAOYSA-N |