5-[3-fluoro-4-(octyloxy)phenyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-[3-fluoro-4-(octyloxy)phenyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
5-[3-fluoro-4-(octyloxy)phenyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | 0361-0031 |
| Compound Name: | 5-[3-fluoro-4-(octyloxy)phenyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C22 H24 F N3 O4 |
| Smiles: | CCCCCCCCOc1ccc(cc1F)c1nc(c2ccc(cc2)[N+]([O-])=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 7.729 |
| logD: | 7.729 |
| logSw: | -5.8432 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.53 |
| InChI Key: | AITCDZSCNLCJJL-UHFFFAOYSA-N |