ethyl ({1-[4-(azepan-1-yl)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({1-[4-(azepan-1-yl)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({1-[4-(azepan-1-yl)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D684-0112 |
| Compound Name: | ethyl ({1-[4-(azepan-1-yl)-6-(methylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C16 H24 N8 O2 S |
| Smiles: | CCOC(CSc1ncn(c2nc(NC)nc(n2)N2CCCCCC2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7102 |
| logD: | 3.7097 |
| logSw: | -3.6671 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.353 |
| InChI Key: | NKDSASUECPMIFC-UHFFFAOYSA-N |