methyl 4-(2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | D386-0225 |
| Compound Name: | methyl 4-(2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 370.38 |
| Molecular Formula: | C17 H14 N4 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nnc(c2ccncc2)o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9216 |
| logD: | 1.9209 |
| logSw: | -2.2445 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.815 |
| InChI Key: | KNNVVGNUCYUCMS-UHFFFAOYSA-N |