ethyl 3-{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
ethyl 3-{3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]propanamido}benzoate
ethyl 3-{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: | G827-0017 |
| Compound Name: | ethyl 3-{3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]propanamido}benzoate |
| Molecular Weight: | 433.47 |
| Molecular Formula: | C22 H23 N7 O3 |
| Smiles: | CCOC(c1cccc(c1)NC(CCc1c(C)nn(c2ccc3nncn3n2)c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4938 |
| logD: | 2.4937 |
| logSw: | -2.8175 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.833 |
| InChI Key: | XSHHFZXKWWPBHC-UHFFFAOYSA-N |