ethyl ({1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D385-0378 |
| Compound Name: | ethyl ({1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 432.55 |
| Molecular Formula: | C19 H28 N8 O2 S |
| Smiles: | CCOC(CSc1ncn(c2nc(nc(n2)N2CCCCC2)N2CCCCC2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9225 |
| logD: | 4.9222 |
| logSw: | -4.3535 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.611 |
| InChI Key: | SSCDEBIAKVEKED-UHFFFAOYSA-N |