methyl ({1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D385-0111 |
| Compound Name: | methyl ({1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 311.32 |
| Molecular Formula: | C10 H13 N7 O3 S |
| Smiles: | CNc1nc(nc(n1)OC)n1cnc(n1)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.2449 |
| logD: | 1.2448 |
| logSw: | -2.179 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.408 |
| InChI Key: | ZIRJYUCBIXQMBY-UHFFFAOYSA-N |