methyl N-{3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoyl}valinate
Chemical Structure Depiction of
methyl N-{3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoyl}valinate
methyl N-{3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoyl}valinate
Compound characteristics
| Compound ID: | E591-0207 |
| Compound Name: | methyl N-{3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoyl}valinate |
| Molecular Weight: | 402.5 |
| Molecular Formula: | C20 H30 N6 O3 |
| Smiles: | CC1CCN(CC1)c1ccc2nnc(CCC(NC(C(C)C)C(=O)OC)=O)n2n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1459 |
| logD: | 2.1459 |
| logSw: | -2.4603 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.558 |
| InChI Key: | KKEPBFZLSHJUKC-IBGZPJMESA-N |