ethyl ({1-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({1-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({1-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D684-0013 |
| Compound Name: | ethyl ({1-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 324.36 |
| Molecular Formula: | C11 H16 N8 O2 S |
| Smiles: | CCOC(CSc1ncn(c2nc(NC)nc(NC)n2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6085 |
| logD: | 1.6042 |
| logSw: | -2.2306 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.434 |
| InChI Key: | RELZFQBLUVIOQN-UHFFFAOYSA-N |