3-{5-[(3-methylphenoxy)methyl]-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-[(3-methylphenoxy)methyl]-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-[(3-methylphenoxy)methyl]-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: | S439-0232 |
| Compound Name: | 3-{5-[(3-methylphenoxy)methyl]-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: | 403.44 |
| Molecular Formula: | C22 H21 N5 O3 |
| Smiles: | Cc1ccc(cc1)C1Cn2c(CO1)c(c1nc(COc3cccc(C)c3)on1)nn2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7862 |
| logD: | 3.7862 |
| logSw: | -3.8576 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.33 |
| InChI Key: | DXUPPHNBURYKEG-IBGZPJMESA-N |