methyl {[1-(2-amino-6-methylpyrimidin-4-yl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[1-(2-amino-6-methylpyrimidin-4-yl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[1-(2-amino-6-methylpyrimidin-4-yl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D396-0010 |
| Compound Name: | methyl {[1-(2-amino-6-methylpyrimidin-4-yl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 280.31 |
| Molecular Formula: | C10 H12 N6 O2 S |
| Smiles: | Cc1cc(nc(N)n1)n1cnc(n1)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 0.743 |
| logD: | 0.7381 |
| logSw: | -1.6438 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.786 |
| InChI Key: | BSPMLHSBPAAFCQ-UHFFFAOYSA-N |