1-[3-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-[3-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide
1-[3-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F707-2032 |
| Compound Name: | 1-[3-(4-chlorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide |
| Molecular Weight: | 493.03 |
| Molecular Formula: | C25 H25 Cl N6 O S |
| Smiles: | CSc1ccc(CNC(C2CCN(CC2)c2ccc3nnc(c4ccc(cc4)[Cl])n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6882 |
| logD: | 4.6882 |
| logSw: | -4.8502 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.726 |
| InChI Key: | QHLZPTAKGPVJMC-UHFFFAOYSA-N |