2-({1-[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
2-({1-[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide
2-({1-[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | D385-0172 |
| Compound Name: | 2-({1-[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 351.43 |
| Molecular Formula: | C13 H21 N9 O S |
| Smiles: | CCCCNc1nc(nc(n1)n1cnc(n1)SCC(N)=O)N(C)C |
| Stereo: | ACHIRAL |
| logP: | 2.2396 |
| logD: | 2.233 |
| logSw: | -2.5835 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.295 |
| InChI Key: | PJLKKESOVHYMJY-UHFFFAOYSA-N |