ethyl 4-(2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | D353-0846 |
| Compound Name: | ethyl 4-(2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 427.43 |
| Molecular Formula: | C20 H17 N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc(c2ccc3c(c2)OCO3)o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5235 |
| logD: | 3.5234 |
| logSw: | -3.7743 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.083 |
| InChI Key: | TZVYJQSDDYBCSV-UHFFFAOYSA-N |