3-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
Chemical Structure Depiction of
3-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
3-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
Compound characteristics
| Compound ID: | S439-0239 |
| Compound Name: | 3-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-6-(4-methylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine |
| Molecular Weight: | 403.4 |
| Molecular Formula: | C21 H17 N5 O4 |
| Smiles: | Cc1ccc(cc1)C1Cn2c(CO1)c(c1nc(c3ccc4c(c3)OCO4)on1)nn2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3414 |
| logD: | 3.3414 |
| logSw: | -3.356 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 83.281 |
| InChI Key: | DYPVFFMCFGXOAI-SFHVURJKSA-N |