1-(2-chloro-5-nitrophenyl)-2-{[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2-chloro-5-nitrophenyl)-2-{[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
1-(2-chloro-5-nitrophenyl)-2-{[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8430-1476 |
| Compound Name: | 1-(2-chloro-5-nitrophenyl)-2-{[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 435.84 |
| Molecular Formula: | C18 H14 Cl N3 O6 S |
| Smiles: | COc1cc(cc(c1)OC)c1nnc(o1)SCC(c1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8879 |
| logD: | 3.8879 |
| logSw: | -4.4385 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.78 |
| InChI Key: | REHBGRBRDWEOTB-UHFFFAOYSA-N |