methyl {[1-(4-methoxy-6-methylpyrimidin-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[1-(4-methoxy-6-methylpyrimidin-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[1-(4-methoxy-6-methylpyrimidin-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D396-0017 |
| Compound Name: | methyl {[1-(4-methoxy-6-methylpyrimidin-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 295.32 |
| Molecular Formula: | C11 H13 N5 O3 S |
| Smiles: | Cc1cc(nc(n1)n1cnc(n1)SCC(=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 1.2615 |
| logD: | 1.2614 |
| logSw: | -1.8629 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.228 |
| InChI Key: | ZBMXFDDBEHUIBW-UHFFFAOYSA-N |