4-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N-ethyl-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
Chemical Structure Depiction of
4-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N-ethyl-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
4-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N-ethyl-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
Compound characteristics
| Compound ID: | D385-0115 |
| Compound Name: | 4-[3-(benzylsulfanyl)-1H-1,2,4-triazol-1-yl]-N-ethyl-6-(morpholin-4-yl)-1,3,5-triazin-2-amine |
| Molecular Weight: | 398.49 |
| Molecular Formula: | C18 H22 N8 O S |
| Smiles: | CCNc1nc(nc(n1)n1cnc(n1)SCc1ccccc1)N1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.6483 |
| logD: | 3.648 |
| logSw: | -3.7429 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.976 |
| InChI Key: | XWADIUFSAWMIBK-UHFFFAOYSA-N |