N-{[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-methylbenzamide
Chemical Structure Depiction of
N-{[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-methylbenzamide
N-{[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-methylbenzamide
Compound characteristics
| Compound ID: | S554-0902 |
| Compound Name: | N-{[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-2-methylbenzamide |
| Molecular Weight: | 371.44 |
| Molecular Formula: | C22 H21 N5 O |
| Smiles: | Cc1ccc(cc1C)c1ccc2nnc(CNC(c3ccccc3C)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 4.0102 |
| logD: | 4.0101 |
| logSw: | -4.1694 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.787 |
| InChI Key: | VJMYBNIVEQWTRP-UHFFFAOYSA-N |