N-{5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Chemical Structure Depiction of
N-{5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide
N-{5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Compound characteristics
| Compound ID: | Y070-2374 |
| Compound Name: | N-{5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C19 H15 N3 O4 S2 |
| Smiles: | C1C(C(Nc2nnc(SCC(c3ccccc3)=O)s2)=O)Oc2ccccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8535 |
| logD: | 3.8434 |
| logSw: | -4.1719 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.648 |
| InChI Key: | JXHRBLZSRRWQFW-INIZCTEOSA-N |