N-(4-ethylphenyl)-2-[3-oxo-8-(piperidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(4-ethylphenyl)-2-[3-oxo-8-(piperidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-(4-ethylphenyl)-2-[3-oxo-8-(piperidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M447-0472 |
| Compound Name: | N-(4-ethylphenyl)-2-[3-oxo-8-(piperidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C21 H23 N7 O2 S |
| Smiles: | CCc1ccc(cc1)NC(CN1C(N2C=Nc3c(C2=N1)sc(n3)N1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.095 |
| logD: | 4.0936 |
| logSw: | -3.8648 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.686 |
| InChI Key: | GADGSRNMFVKGEW-UHFFFAOYSA-N |