2-{[5-(2H-1,3-benzodioxol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[5-(2H-1,3-benzodioxol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
2-{[5-(2H-1,3-benzodioxol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C592-3825 |
| Compound Name: | 2-{[5-(2H-1,3-benzodioxol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 306.34 |
| Molecular Formula: | C13 H14 N4 O3 S |
| Smiles: | CCn1c(c2ccc3c(c2)OCO3)nnc1SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.589 |
| logD: | 1.589 |
| logSw: | -2.3369 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.74 |
| InChI Key: | DDLNDTSEOTYSEO-UHFFFAOYSA-N |