2-[8-(azepan-1-yl)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[8-(azepan-1-yl)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-methoxyphenyl)acetamide
2-[8-(azepan-1-yl)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C201-1540 |
| Compound Name: | 2-[8-(azepan-1-yl)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C21 H23 N7 O3 S |
| Smiles: | COc1ccc(cc1)NC(CN1C(N2C=Nc3c(C2=N1)sc(n3)N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6426 |
| logD: | 3.6412 |
| logSw: | -3.7708 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.56 |
| InChI Key: | HIGLFQGGGUIRSF-UHFFFAOYSA-N |