2-chloro-N-{[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
Chemical Structure Depiction of
2-chloro-N-{[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
2-chloro-N-{[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | S554-0955 |
| Compound Name: | 2-chloro-N-{[6-(3,4-dimethylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}benzamide |
| Molecular Weight: | 391.86 |
| Molecular Formula: | C21 H18 Cl N5 O |
| Smiles: | Cc1ccc(cc1C)c1ccc2nnc(CNC(c3ccccc3[Cl])=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 4.2464 |
| logD: | 4.2462 |
| logSw: | -4.4693 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.787 |
| InChI Key: | PTEFIZWGVOVJCG-UHFFFAOYSA-N |