ethyl ({1-[4-(dimethylamino)-6-(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-(dimethylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({1-[4-(dimethylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]-1H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
Compound ID: | D385-0382 |
Compound Name: | ethyl ({1-[4-(dimethylamino)-6-(piperidin-1-yl)-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(n2)N2CCCCC2)N(C)C)n1)=O |
Stereo: | ACHIRAL |
logP: | 3.8345 |
logD: | 3.8231 |
logSw: | -3.6497 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 75.963 |
InChI Key: | IMEFIVCOLTUGPR-UHFFFAOYSA-N |