N~2~-(butan-2-yl)-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~-(butan-2-yl)-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~-(butan-2-yl)-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: | D684-0071 |
| Compound Name: | N~2~-(butan-2-yl)-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: | 414.53 |
| Molecular Formula: | C19 H26 N8 O S |
| Smiles: | CCC(C)Nc1nc(NC)nc(n1)n1cnc(n1)SCCOc1ccccc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.439 |
| logD: | 4.4356 |
| logSw: | -4.3921 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.799 |
| InChI Key: | GDSLFLDHRXKZCF-AWEZNQCLSA-N |