2-[(1-{4-(dimethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
2-[(1-{4-(dimethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
2-[(1-{4-(dimethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D385-0180 |
| Compound Name: | 2-[(1-{4-(dimethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 337.4 |
| Molecular Formula: | C12 H19 N9 O S |
| Smiles: | CC(C)Nc1nc(nc(n1)n1cnc(n1)SCC(N)=O)N(C)C |
| Stereo: | ACHIRAL |
| logP: | 1.6053 |
| logD: | 1.5307 |
| logSw: | -2.3513 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.427 |
| InChI Key: | LRAQCLBLOXIFTH-UHFFFAOYSA-N |