methyl 4-{3-[3,5-dimethyl-1-(3-methyl[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-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]propanamido}benzoate
methyl 4-{3-[3,5-dimethyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]propanamido}benzoate
Compound characteristics
| Compound ID: | G827-0229 |
| Compound Name: | methyl 4-{3-[3,5-dimethyl-1-(3-methyl[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: | Cc1c(CCC(Nc2ccc(cc2)C(=O)OC)=O)c(C)n(c2ccc3nnc(C)n3n2)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.8194 |
| logD: | 1.819 |
| logSw: | -2.1794 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.379 |
| InChI Key: | BOEKEZOJXMKOIE-UHFFFAOYSA-N |