methyl 4-{3-[6-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
Chemical Structure Depiction of
methyl 4-{3-[6-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
methyl 4-{3-[6-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate
Compound characteristics
| Compound ID: | E591-0354 |
| Compound Name: | methyl 4-{3-[6-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamido}benzoate |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C20 H22 N6 O3 |
| Smiles: | COC(c1ccc(cc1)NC(CCc1nnc2ccc(nn12)N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0937 |
| logD: | 2.0935 |
| logSw: | -2.7379 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.978 |
| InChI Key: | ATLVOHDLNJRAQN-UHFFFAOYSA-N |