ethyl ({1-[4-(azepan-1-yl)-6-(dimethylamino)-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-(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({1-[4-(azepan-1-yl)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D684-0362 |
| Compound Name: | ethyl ({1-[4-(azepan-1-yl)-6-(dimethylamino)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C17 H26 N8 O2 S |
| Smiles: | CCOC(CSc1ncn(c2nc(nc(n2)N2CCCCCC2)N(C)C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3304 |
| logD: | 4.3282 |
| logSw: | -3.9722 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.294 |
| InChI Key: | PNPWBQCKAQZMHU-UHFFFAOYSA-N |