N-[(4-methylphenyl)methyl]-3-[6-(4-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-3-[6-(4-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
N-[(4-methylphenyl)methyl]-3-[6-(4-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
Compound characteristics
| Compound ID: | E591-0413 |
| Compound Name: | N-[(4-methylphenyl)methyl]-3-[6-(4-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide |
| Molecular Weight: | 393.49 |
| Molecular Formula: | C21 H27 N7 O |
| Smiles: | Cc1ccc(CNC(CCc2nnc3ccc(nn23)N2CCN(C)CC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.38 |
| logD: | 0.809 |
| logSw: | -1.8924 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.237 |
| InChI Key: | SJZAAXUJJWOSFP-UHFFFAOYSA-N |