N,N-dimethyl-4-{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}aniline
Chemical Structure Depiction of
N,N-dimethyl-4-{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}aniline
N,N-dimethyl-4-{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}aniline
Compound characteristics
| Compound ID: | S439-0249 |
| Compound Name: | N,N-dimethyl-4-{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}aniline |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C22 H22 N6 O2 |
| Smiles: | Cc1ccc(cc1)C1Cn2c(CO1)c(c1nc(c3ccc(cc3)N(C)C)on1)nn2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5893 |
| logD: | 3.5891 |
| logSw: | -3.5067 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 68.97 |
| InChI Key: | KIJUQUIXRXCSNZ-IBGZPJMESA-N |