methyl 5-[({5-[(2-chloro-6-fluorobenzamido)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)methyl]furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-[({5-[(2-chloro-6-fluorobenzamido)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)methyl]furan-2-carboxylate
methyl 5-[({5-[(2-chloro-6-fluorobenzamido)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)methyl]furan-2-carboxylate
Compound characteristics
| Compound ID: | C328-0246 |
| Compound Name: | methyl 5-[({5-[(2-chloro-6-fluorobenzamido)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)methyl]furan-2-carboxylate |
| Molecular Weight: | 425.82 |
| Molecular Formula: | C17 H13 Cl F N3 O5 S |
| Smiles: | COC(c1ccc(CSc2nnc(CNC(c3c(cccc3[Cl])F)=O)o2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6616 |
| logD: | 2.6612 |
| logSw: | -3.7747 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.43 |
| InChI Key: | DTKWQLYYHDJJCR-UHFFFAOYSA-N |