3-{[(2-methylphenyl)methyl]sulfanyl}-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridine
Chemical Structure Depiction of
3-{[(2-methylphenyl)methyl]sulfanyl}-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridine
3-{[(2-methylphenyl)methyl]sulfanyl}-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridine
Compound characteristics
| Compound ID: | M114-0095 |
| Compound Name: | 3-{[(2-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: | Cc1ccccc1CSc1nnc2c(cccn12)S(N1CCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.124 |
| logD: | 3.124 |
| logSw: | -3.0705 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.782 |
| InChI Key: | MGQAVNGKRLBYLJ-UHFFFAOYSA-N |