N-[4-(azepane-1-sulfonyl)phenyl]-3-[6-(piperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
Chemical Structure Depiction of
N-[4-(azepane-1-sulfonyl)phenyl]-3-[6-(piperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
N-[4-(azepane-1-sulfonyl)phenyl]-3-[6-(piperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
Compound characteristics
| Compound ID: | E591-0867 |
| Compound Name: | N-[4-(azepane-1-sulfonyl)phenyl]-3-[6-(piperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide |
| Molecular Weight: | 511.65 |
| Molecular Formula: | C25 H33 N7 O3 S |
| Smiles: | C1CCCN(CC1)S(c1ccc(cc1)NC(CCc1nnc2ccc(nn12)N1CCCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0315 |
| logD: | 3.0306 |
| logSw: | -3.56 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.48 |
| InChI Key: | UWEBWCSSPQBMMF-UHFFFAOYSA-N |