N-ethyl-4-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(piperidin-1-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-(piperidin-1-yl)-1,3,5-triazin-2-amine
N-ethyl-4-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
Compound characteristics
| Compound ID: | D441-0045 |
| Compound Name: | N-ethyl-4-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine |
| Molecular Weight: | 440.57 |
| Molecular Formula: | C21 H28 N8 O S |
| Smiles: | CCNc1nc(nc(n1)n1cnc(n1)SCCOc1ccc(C)cc1)N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.3831 |
| logD: | 5.3828 |
| logSw: | -5.3366 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.485 |
| InChI Key: | VDKLJLQPUXMXKB-UHFFFAOYSA-N |