3-{[(3-fluoro-4-methoxyphenyl)methyl]sulfanyl}-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridine
Chemical Structure Depiction of
3-{[(3-fluoro-4-methoxyphenyl)methyl]sulfanyl}-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridine
3-{[(3-fluoro-4-methoxyphenyl)methyl]sulfanyl}-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridine
Compound characteristics
| Compound ID: | M114-0127 |
| Compound Name: | 3-{[(3-fluoro-4-methoxyphenyl)methyl]sulfanyl}-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridine |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C18 H19 F N4 O3 S2 |
| Smiles: | COc1ccc(CSc2nnc3c(cccn23)S(N2CCCC2)(=O)=O)cc1F |
| Stereo: | ACHIRAL |
| logP: | 2.2835 |
| logD: | 2.2835 |
| logSw: | -2.5219 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.413 |
| InChI Key: | LXLHTISJUABJRD-UHFFFAOYSA-N |