N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | D337-1345 |
| Compound Name: | N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C21 H16 N4 O4 S2 |
| Smiles: | [H]N(C(c1cc(c2ccc3c(c2)OCCO3)on1)=O)c1nnc(SCc2ccccc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.9896 |
| logD: | 3.9875 |
| logSw: | -4.3198 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.322 |
| InChI Key: | WOIFYDUKGFLFEI-UHFFFAOYSA-N |