3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-8-(piperidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridine
Chemical Structure Depiction of
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-8-(piperidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridine
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-8-(piperidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridine
Compound characteristics
| Compound ID: | M114-0167 |
| Compound Name: | 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-8-(piperidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridine |
| Molecular Weight: | 416.56 |
| Molecular Formula: | C20 H24 N4 O2 S2 |
| Smiles: | Cc1ccc(C)c(CSc2nnc3c(cccn23)S(N2CCCCC2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8819 |
| logD: | 3.8819 |
| logSw: | -3.6384 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.416 |
| InChI Key: | UDRLUVVHXSCWFY-UHFFFAOYSA-N |