4-methoxyphenyl {[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
4-methoxyphenyl {[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
4-methoxyphenyl {[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D394-6021 |
| Compound Name: | 4-methoxyphenyl {[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate |
| Molecular Weight: | 387.37 |
| Molecular Formula: | C17 H13 N3 O6 S |
| Smiles: | COc1ccc(cc1)OC(CSc1nnc(c2ccc(cc2)[N+]([O-])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2641 |
| logD: | 3.2641 |
| logSw: | -3.6538 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.044 |
| InChI Key: | YWSLELVREJFMEO-UHFFFAOYSA-N |