N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Compound characteristics
| Compound ID: | C785-1794 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C20 H18 N4 O4 S |
| Smiles: | CCC1=NN(CC(NCc2ccc3c(c2)OCO3)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5452 |
| logD: | 2.5452 |
| logSw: | -2.957 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.073 |
| InChI Key: | IVQIYDKNSDJHRG-UHFFFAOYSA-N |