N-ethyl-4-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
Chemical Structure Depiction of
N-ethyl-4-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
N-ethyl-4-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
Compound characteristics
| Compound ID: | D441-0043 |
| Compound Name: | N-ethyl-4-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(morpholin-4-yl)-1,3,5-triazin-2-amine |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C20 H26 N8 O2 S |
| Smiles: | CCNc1nc(nc(n1)n1cnc(n1)SCCOc1ccc(C)cc1)N1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.2244 |
| logD: | 4.2241 |
| logSw: | -4.0624 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.394 |
| InChI Key: | VSEAJYJBHWSWNA-UHFFFAOYSA-N |