ethyl 3-{3-[6-(4-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
Chemical Structure Depiction of
ethyl 3-{3-[6-(4-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
ethyl 3-{3-[6-(4-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
Compound characteristics
| Compound ID: | E591-0401 |
| Compound Name: | ethyl 3-{3-[6-(4-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate |
| Molecular Weight: | 437.5 |
| Molecular Formula: | C22 H27 N7 O3 |
| Smiles: | CCOC(c1cccc(c1)NC(CCc1nnc2ccc(nn12)N1CCN(C)CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0383 |
| logD: | 1.4673 |
| logSw: | -2.8078 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.669 |
| InChI Key: | WQLZLFQOZRGARF-UHFFFAOYSA-N |