N~2~,N~2~-diethyl-N~4~-methyl-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~-diethyl-N~4~-methyl-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~-diethyl-N~4~-methyl-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: | D441-0051 |
| Compound Name: | N~2~,N~2~-diethyl-N~4~-methyl-6-(3-{[2-(4-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: | CCN(CC)c1nc(NC)nc(n1)n1cnc(n1)SCCOc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8719 |
| logD: | 4.8548 |
| logSw: | -4.6329 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.293 |
| InChI Key: | QQBVFBXKIAAYOK-UHFFFAOYSA-N |