N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-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-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | F815-0369 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C20 H17 N5 O4 S |
| Smiles: | C1CCc2c(C1)c1C3=NN(CC(Nc4ccc5c(c4)OCO5)=O)C(N3C=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0518 |
| logD: | 3.0518 |
| logSw: | -3.3309 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.775 |
| InChI Key: | ZINYZVSCAHVQMT-UHFFFAOYSA-N |