methyl N-{3-[6-(4-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoyl}valinate
Chemical Structure Depiction of
methyl N-{3-[6-(4-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoyl}valinate
methyl N-{3-[6-(4-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoyl}valinate
Compound characteristics
| Compound ID: | G395-0659 |
| Compound Name: | methyl N-{3-[6-(4-methylpiperazin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoyl}valinate |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C19 H29 N7 O3 |
| Smiles: | CC(C)C(C(=O)OC)NC(CCc1nnc2ccc(nn12)N1CCN(C)CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6336 |
| logD: | 0.0626 |
| logSw: | -1.7268 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.035 |
| InChI Key: | RZGMJYWLBGEGAY-SFHVURJKSA-N |