methyl ({1-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({1-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({1-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D385-0112 |
| Compound Name: | methyl ({1-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 310.33 |
| Molecular Formula: | C10 H14 N8 O2 S |
| Smiles: | CNc1nc(NC)nc(n1)n1cnc(n1)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.0174 |
| logD: | 1.0131 |
| logSw: | -2.0835 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.854 |
| InChI Key: | MHLXSDNJDFMNSW-UHFFFAOYSA-N |