3-[3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
Chemical Structure Depiction of
3-[3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
3-[3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
Compound characteristics
| Compound ID: | S354-0237 |
| Compound Name: | 3-[3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine |
| Molecular Weight: | 437.43 |
| Molecular Formula: | C22 H20 F N5 O4 |
| Smiles: | CCOc1cc(ccc1OC)c1nc(c2c3COC(Cn3nn2)c2ccc(cc2)F)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0597 |
| logD: | 3.0597 |
| logSw: | -3.1018 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.006 |
| InChI Key: | OXKUFQHOBLTYDI-IBGZPJMESA-N |