4-(azepan-1-yl)-N-ethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
Chemical Structure Depiction of
4-(azepan-1-yl)-N-ethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
4-(azepan-1-yl)-N-ethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
Compound characteristics
| Compound ID: | D684-0242 |
| Compound Name: | 4-(azepan-1-yl)-N-ethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine |
| Molecular Weight: | 454.6 |
| Molecular Formula: | C22 H30 N8 O S |
| Smiles: | CCNc1nc(nc(n1)n1cnc(n1)SCCOc1ccc(C)cc1)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.879 |
| logD: | 5.8787 |
| logSw: | -5.4692 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.816 |
| InChI Key: | VGADRNZKKQZPFZ-UHFFFAOYSA-N |