3-[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
Chemical Structure Depiction of
3-[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
3-[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | M454-0989 |
| Compound Name: | 3-[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide |
| Molecular Weight: | 453.47 |
| Molecular Formula: | C24 H22 F3 N5 O |
| Smiles: | Cc1ccc(cc1C)c1ccc2nnc(CCC(NCc3cccc(c3)C(F)(F)F)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 4.2546 |
| logD: | 4.2545 |
| logSw: | -4.3509 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.573 |
| InChI Key: | XBSJXPRCVLEYDY-UHFFFAOYSA-N |