methyl [(1-{4-(methylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(1-{4-(methylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
methyl [(1-{4-(methylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D684-0048 |
| Compound Name: | methyl [(1-{4-(methylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 338.39 |
| Molecular Formula: | C12 H18 N8 O2 S |
| Smiles: | CC(C)Nc1nc(NC)nc(n1)n1cnc(n1)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.8687 |
| logD: | 1.8516 |
| logSw: | -2.3156 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.677 |
| InChI Key: | XNFVKHJXRVLIQZ-UHFFFAOYSA-N |