ethyl N-{[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}-beta-alaninate
Chemical Structure Depiction of
ethyl N-{[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}-beta-alaninate
ethyl N-{[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}-beta-alaninate
Compound characteristics
| Compound ID: | Y206-8702 |
| Compound Name: | ethyl N-{[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}-beta-alaninate |
| Molecular Weight: | 321.36 |
| Molecular Formula: | C13 H15 N5 O3 S |
| Smiles: | CCOC(CCNC(Nc1nnc(c2ccncc2)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1597 |
| logD: | 1.1578 |
| logSw: | -1.8358 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.837 |
| InChI Key: | RFONENFXARSBRB-UHFFFAOYSA-N |