2,6-dimethylphenyl {[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
2,6-dimethylphenyl {[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
2,6-dimethylphenyl {[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D394-6027 |
| Compound Name: | 2,6-dimethylphenyl {[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate |
| Molecular Weight: | 385.4 |
| Molecular Formula: | C18 H15 N3 O5 S |
| Smiles: | Cc1cccc(C)c1OC(CSc1nnc(c2ccc(cc2)[N+]([O-])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0749 |
| logD: | 4.0749 |
| logSw: | -4.3711 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.673 |
| InChI Key: | HVZLWJKWBNGNPP-UHFFFAOYSA-N |