3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
Chemical Structure Depiction of
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
Compound characteristics
| Compound ID: | S354-0566 |
| Compound Name: | 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine |
| Molecular Weight: | 417.42 |
| Molecular Formula: | C22 H19 N5 O4 |
| Smiles: | Cc1ccc(C2Cn3c(CO2)c(c2nc(c4ccc5c(c4)OCO5)no2)nn3)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3085 |
| logD: | 4.3085 |
| logSw: | -4.4156 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 83.281 |
| InChI Key: | HBAOZQAYNFREII-IBGZPJMESA-N |