6-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N~2~,N~4~-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
6-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N~2~,N~4~-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
6-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N~2~,N~4~-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | D441-0039 |
| Compound Name: | 6-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N~2~,N~4~-di(propan-2-yl)-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 428.56 |
| Molecular Formula: | C20 H28 N8 O S |
| Smiles: | CC(C)Nc1nc(NC(C)C)nc(n1)n1cnc(n1)SCCOc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 4.9881 |
| logD: | 4.988 |
| logSw: | -4.7253 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.155 |
| InChI Key: | XBZFYHCIHYKNBG-UHFFFAOYSA-N |