methyl {[1-(4-methyl-6-phenoxypyrimidin-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[1-(4-methyl-6-phenoxypyrimidin-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[1-(4-methyl-6-phenoxypyrimidin-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D396-0036 |
| Compound Name: | methyl {[1-(4-methyl-6-phenoxypyrimidin-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C16 H15 N5 O3 S |
| Smiles: | Cc1cc(nc(n1)n1cnc(n1)SCC(=O)OC)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6074 |
| logD: | 2.6072 |
| logSw: | -3.0178 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.432 |
| InChI Key: | KDWXWHBHTIKPOO-UHFFFAOYSA-N |