1-(4-nitrophenyl)-2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-nitrophenyl)-2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
1-(4-nitrophenyl)-2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 3103-0087 |
| Compound Name: | 1-(4-nitrophenyl)-2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 431.42 |
| Molecular Formula: | C19 H17 N3 O7 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1nnc(o1)SCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7103 |
| logD: | 2.7103 |
| logSw: | -3.2002 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 99.67 |
| InChI Key: | XPHOKDAUDJKFBE-UHFFFAOYSA-N |