N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | L386-0018 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide |
| Molecular Weight: | 369.36 |
| Molecular Formula: | C16 H11 N5 O4 S |
| Smiles: | C(C(Nc1ccc2c(c1)OCO2)=O)N1C(N2C=Nc3ccsc3C2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9362 |
| logD: | 1.9361 |
| logSw: | -2.894 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.971 |
| InChI Key: | IUUSIEOIGRCPQQ-UHFFFAOYSA-N |