3-{[(3-methylphenyl)methyl]sulfanyl}-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridine
Chemical Structure Depiction of
3-{[(3-methylphenyl)methyl]sulfanyl}-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridine
3-{[(3-methylphenyl)methyl]sulfanyl}-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridine
Compound characteristics
| Compound ID: | M114-0096 |
| Compound Name: | 3-{[(3-methylphenyl)methyl]sulfanyl}-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridine |
| Molecular Weight: | 388.51 |
| Molecular Formula: | C18 H20 N4 O2 S2 |
| Smiles: | Cc1cccc(CSc2nnc3c(cccn23)S(N2CCCC2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.9705 |
| logD: | 2.9705 |
| logSw: | -3.1717 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.782 |
| InChI Key: | AQDKLWKOMNFMME-UHFFFAOYSA-N |