1-[3-(3-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-[3-(3-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide
1-[3-(3-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F707-2451 |
| Compound Name: | 1-[3-(3-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide |
| Molecular Weight: | 472.61 |
| Molecular Formula: | C26 H28 N6 O S |
| Smiles: | Cc1cccc(c1)c1nnc2ccc(nn12)N1CCC(CC1)C(NCc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4627 |
| logD: | 4.4627 |
| logSw: | -4.2183 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.726 |
| InChI Key: | XJBWAAZCIBPVJN-UHFFFAOYSA-N |