N-(3-{3-[6-(4-methylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl]-1,2,4-oxadiazol-5-yl}phenyl)acetamide
Chemical Structure Depiction of
N-(3-{3-[6-(4-methylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl]-1,2,4-oxadiazol-5-yl}phenyl)acetamide
N-(3-{3-[6-(4-methylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl]-1,2,4-oxadiazol-5-yl}phenyl)acetamide
Compound characteristics
| Compound ID: | S439-0166 |
| Compound Name: | N-(3-{3-[6-(4-methylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl]-1,2,4-oxadiazol-5-yl}phenyl)acetamide |
| Molecular Weight: | 416.44 |
| Molecular Formula: | C22 H20 N6 O3 |
| Smiles: | CC(Nc1cccc(c1)c1nc(c2c3COC(Cn3nn2)c2ccc(C)cc2)no1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.921 |
| logD: | 2.921 |
| logSw: | -3.1589 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.427 |
| InChI Key: | IIROTTVWIHKPOF-LJQANCHMSA-N |