4-{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
4-{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
4-{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: | S439-0687 |
Compound Name: | 4-{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)c1ccc(cc1)c1nc(c2c3COC(Cn3nn2)c2ccccc2[Cl])no1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.8073 |
logD: | 3.8072 |
logSw: | -4.2825 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 68.97 |
InChI Key: | DWBAYBCESAPHLO-SFHVURJKSA-N |