N-{[4-(methylsulfanyl)phenyl]methyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
N-{[4-(methylsulfanyl)phenyl]methyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F707-0204 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C20 H24 N6 O S |
| Smiles: | Cc1nnc2ccc(nn12)N1CCC(CC1)C(NCc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0571 |
| logD: | 2.0571 |
| logSw: | -2.5405 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.775 |
| InChI Key: | FFWPKVHUWUZDIJ-UHFFFAOYSA-N |