N-(2,5-dimethoxyphenyl)-3-[6-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-3-[6-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
N-(2,5-dimethoxyphenyl)-3-[6-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
Compound characteristics
| Compound ID: | E591-0300 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-3-[6-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide |
| Molecular Weight: | 396.45 |
| Molecular Formula: | C20 H24 N6 O3 |
| Smiles: | COc1ccc(c(c1)NC(CCc1nnc2ccc(nn12)N1CCCC1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.6864 |
| logD: | 1.6855 |
| logSw: | -2.2668 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.281 |
| InChI Key: | PHKGUEJMLRHGHW-UHFFFAOYSA-N |