6-(2H-1,3-benzodioxol-5-yl)-3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-(2H-1,3-benzodioxol-5-yl)-3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D221-0202 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 274.3 |
| Molecular Formula: | C12 H10 N4 O2 S |
| Smiles: | CCc1nnc2n1nc(c1ccc3c(c1)OCO3)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.2067 |
| logD: | 2.2067 |
| logSw: | -2.5748 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.085 |
| InChI Key: | NEMDJFKZROCUEV-UHFFFAOYSA-N |