N-[(3,4-dimethoxyphenyl)methyl]-3-(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-3-(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
N-[(3,4-dimethoxyphenyl)methyl]-3-(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
Compound characteristics
| Compound ID: | M454-0568 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-3-(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide |
| Molecular Weight: | 417.47 |
| Molecular Formula: | C23 H23 N5 O3 |
| Smiles: | COc1ccc(CNC(CCc2nnc3ccc(c4ccccc4)nn23)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.1034 |
| logD: | 2.1034 |
| logSw: | -2.7954 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.834 |
| InChI Key: | PVYYGCZNSBXONT-UHFFFAOYSA-N |