N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-(6-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-(6-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-(6-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
Compound characteristics
| Compound ID: | G395-1710 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-3-(6-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide |
| Molecular Weight: | 481.62 |
| Molecular Formula: | C24 H31 N7 O2 S |
| Smiles: | CSc1ccc(CCNC(CCc2nnc3ccc(NCCCN4CCCC4=O)nn23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 0.7626 |
| logD: | 0.7626 |
| logSw: | -2.1967 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.842 |
| InChI Key: | HYKJBRNHVOPKAF-UHFFFAOYSA-N |