3-{3-[6-(2-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl]-1,2,4-oxadiazol-5-yl}-N,N-dimethylaniline
Chemical Structure Depiction of
3-{3-[6-(2-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl]-1,2,4-oxadiazol-5-yl}-N,N-dimethylaniline
3-{3-[6-(2-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl]-1,2,4-oxadiazol-5-yl}-N,N-dimethylaniline
Compound characteristics
| Compound ID: | S439-0686 |
| Compound Name: | 3-{3-[6-(2-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl]-1,2,4-oxadiazol-5-yl}-N,N-dimethylaniline |
| Molecular Weight: | 422.87 |
| Molecular Formula: | C21 H19 Cl N6 O2 |
| Smiles: | CN(C)c1cccc(c1)c1nc(c2c3COC(Cn3nn2)c2ccccc2[Cl])no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9546 |
| logD: | 3.9539 |
| logSw: | -4.3038 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 68.97 |
| InChI Key: | LKLUEMQWNRZWGN-SFHVURJKSA-N |