methyl {[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y206-5724 |
| Compound Name: | methyl {[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 264.3 |
| Molecular Formula: | C11 H12 N4 O2 S |
| Smiles: | Cn1c(c2cccnc2)nnc1SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 0.3543 |
| logD: | 0.3203 |
| logSw: | -1.0702 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.419 |
| InChI Key: | FLHVRWFMRAPNAU-UHFFFAOYSA-N |