N-[2-(2,5-dimethoxyphenyl)ethyl]-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide
Chemical Structure Depiction of
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide
Compound characteristics
| Compound ID: | E591-0114 |
| Compound Name: | N-[2-(2,5-dimethoxyphenyl)ethyl]-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide |
| Molecular Weight: | 545.64 |
| Molecular Formula: | C29 H35 N7 O4 |
| Smiles: | COc1cccc(c1)N1CCN(CC1)c1ccc2nnc(CCC(NCCc3cc(ccc3OC)OC)=O)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.006 |
| logD: | 3.006 |
| logSw: | -3.3667 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.58 |
| InChI Key: | RMIOOFCKVYGTDE-UHFFFAOYSA-N |