N~2~-ethyl-N~4~-methyl-6-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
N~2~-ethyl-N~4~-methyl-6-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
N~2~-ethyl-N~4~-methyl-6-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | D684-0026 |
| Compound Name: | N~2~-ethyl-N~4~-methyl-6-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 386.48 |
| Molecular Formula: | C17 H22 N8 O S |
| Smiles: | CCNc1nc(NC)nc(n1)n1cnc(n1)SCCOc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 3.7648 |
| logD: | 3.7562 |
| logSw: | -4.0375 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.983 |
| InChI Key: | XKFGECWIXLBLNU-UHFFFAOYSA-N |