5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-{[(2-fluorophenyl)methyl]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-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | D337-1397 |
| Compound Name: | 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 470.5 |
| Molecular Formula: | C21 H15 F N4 O4 S2 |
| Smiles: | C1COc2cc(ccc2O1)c1cc(C(Nc2nnc(SCc3ccccc3F)s2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.5538 |
| logD: | 4.5516 |
| logSw: | -4.5421 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.322 |
| InChI Key: | JSHAWOZZMOUSKC-UHFFFAOYSA-N |