3,4,5-trimethoxy-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
Chemical Structure Depiction of
3,4,5-trimethoxy-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
3,4,5-trimethoxy-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
Compound characteristics
| Compound ID: | Y031-3179 |
| Compound Name: | 3,4,5-trimethoxy-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C19 H19 N3 O4 S2 |
| Smiles: | COc1cc(cc(c1OC)OC)C(Nc1nnc(CSc2ccccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7916 |
| logD: | 3.6904 |
| logSw: | -4.022 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.076 |
| InChI Key: | ORZVSOFHJRYRAD-UHFFFAOYSA-N |