methyl 4-{3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]propanamido}benzoate
Chemical Structure Depiction of
methyl 4-{3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]propanamido}benzoate
methyl 4-{3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]propanamido}benzoate
Compound characteristics
| Compound ID: | G827-0091 |
| Compound Name: | methyl 4-{3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]propanamido}benzoate |
| Molecular Weight: | 419.44 |
| Molecular Formula: | C21 H21 N7 O3 |
| Smiles: | Cc1c(CCC(Nc2ccc(cc2)C(=O)OC)=O)c(C)n(c2ccc3nncn3n2)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.8025 |
| logD: | 1.8023 |
| logSw: | -2.2189 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.253 |
| InChI Key: | HURYTLHCKAVULJ-UHFFFAOYSA-N |