2-[(1-{4-[(butan-2-yl)amino]-6-(methylamino)-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
2-[(1-{4-[(butan-2-yl)amino]-6-(methylamino)-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
2-[(1-{4-[(butan-2-yl)amino]-6-(methylamino)-1,3,5-triazin-2-yl}-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D385-0181 |
| Compound Name: | 2-[(1-{4-[(butan-2-yl)amino]-6-(methylamino)-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: | CCC(C)Nc1nc(NC)nc(n1)n1cnc(n1)SCC(N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3898 |
| logD: | 1.3864 |
| logSw: | -2.103 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 107.954 |
| InChI Key: | YDRTUEKNQZMDTF-ZETCQYMHSA-N |