3-{6-[4-(2,5-dimethylphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}-N-(4-methylphenyl)propanamide
Chemical Structure Depiction of
3-{6-[4-(2,5-dimethylphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}-N-(4-methylphenyl)propanamide
3-{6-[4-(2,5-dimethylphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}-N-(4-methylphenyl)propanamide
Compound characteristics
| Compound ID: | C747-0018 |
| Compound Name: | 3-{6-[4-(2,5-dimethylphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}-N-(4-methylphenyl)propanamide |
| Molecular Weight: | 469.59 |
| Molecular Formula: | C27 H31 N7 O |
| Smiles: | Cc1ccc(cc1)NC(CCc1nnc2ccc(nn12)N1CCN(CC1)c1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6549 |
| logD: | 4.6549 |
| logSw: | -4.2993 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.398 |
| InChI Key: | SMDMMNQMDUSAPN-UHFFFAOYSA-N |