N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F707-3122 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C25 H24 N6 O3 |
| Smiles: | C1CN(CCC1C(NCc1ccc2c(c1)OCO2)=O)c1ccc2nnc(c3ccccc3)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.1822 |
| logD: | 3.1822 |
| logSw: | -3.2338 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.842 |
| InChI Key: | RMBDJSYWXMSSAK-UHFFFAOYSA-N |