ethyl [(1-{4-[(butan-2-yl)amino]-6-(methylamino)-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(1-{4-[(butan-2-yl)amino]-6-(methylamino)-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
ethyl [(1-{4-[(butan-2-yl)amino]-6-(methylamino)-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D684-0067 |
| Compound Name: | ethyl [(1-{4-[(butan-2-yl)amino]-6-(methylamino)-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 366.44 |
| Molecular Formula: | C14 H22 N8 O2 S |
| Smiles: | CCC(C)Nc1nc(NC)nc(n1)n1cnc(n1)SCC(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.762 |
| logD: | 2.7586 |
| logSw: | -2.9131 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.725 |
| InChI Key: | KIKCOBNCFJNQDJ-VIFPVBQESA-N |