N~2~,N~2~,N~4~-triethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
N~2~,N~2~,N~4~-triethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
N~2~,N~2~,N~4~-triethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | D441-0042 |
| Compound Name: | N~2~,N~2~,N~4~-triethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 428.56 |
| Molecular Formula: | C20 H28 N8 O S |
| Smiles: | CCNc1nc(nc(n1)n1cnc(n1)SCCOc1ccc(C)cc1)N(CC)CC |
| Stereo: | ACHIRAL |
| logP: | 5.3512 |
| logD: | 5.3497 |
| logSw: | -5.4813 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.769 |
| InChI Key: | DRUCPBLPJFERMM-UHFFFAOYSA-N |