5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,2-oxazole-3-carboxamide
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | D337-1296 |
| Compound Name: | 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 480.52 |
| Molecular Formula: | C22 H16 N4 O5 S2 |
| Smiles: | [H]N(C(c1cc(c2ccc3c(c2)OCCO3)on1)=O)c1nnc(SCC(c2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.6873 |
| logD: | 3.6851 |
| logSw: | -4.1891 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.569 |
| InChI Key: | FYHNUMDJCFZJMY-UHFFFAOYSA-N |