3-[5-(2-chloro-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
Chemical Structure Depiction of
3-[5-(2-chloro-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
3-[5-(2-chloro-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
Compound characteristics
| Compound ID: | S439-0330 |
| Compound Name: | 3-[5-(2-chloro-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]-6-(4-methoxyphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine |
| Molecular Weight: | 427.82 |
| Molecular Formula: | C20 H15 Cl F N5 O3 |
| Smiles: | COc1ccc(cc1)C1Cn2c(CO1)c(c1nc(c3cc(ccc3[Cl])F)on1)nn2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7103 |
| logD: | 3.7103 |
| logSw: | -4.2083 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.709 |
| InChI Key: | PDGUOKKPNZFOQY-QGZVFWFLSA-N |