N~2~,N~2~,N~4~-trimethyl-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~,N~2~,N~4~-trimethyl-6-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
N~2~,N~2~,N~4~-trimethyl-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: | D441-0021 |
| Compound Name: | N~2~,N~2~,N~4~-trimethyl-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: | Cc1ccccc1OCCSc1ncn(c2nc(NC)nc(n2)N(C)C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8032 |
| logD: | 3.7837 |
| logSw: | -4.1166 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.449 |
| InChI Key: | BATPOGUGUPKGHE-UHFFFAOYSA-N |