6-(2,4-dimethylphenyl)-3-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
Chemical Structure Depiction of
6-(2,4-dimethylphenyl)-3-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
6-(2,4-dimethylphenyl)-3-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
Compound characteristics
| Compound ID: | S354-0584 |
| Compound Name: | 6-(2,4-dimethylphenyl)-3-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C22 H21 N5 O2 S |
| Smiles: | Cc1ccc(C2Cn3c(CO2)c(c2nc(c4ccc(cc4)SC)no2)nn3)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1072 |
| logD: | 5.1072 |
| logSw: | -5.0106 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.165 |
| InChI Key: | XEQHAWSUQRYQIU-LJQANCHMSA-N |