3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
Chemical Structure Depiction of
3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
Compound characteristics
| Compound ID: | S354-0576 |
| Compound Name: | 3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(2,4-dimethylphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine |
| Molecular Weight: | 452.31 |
| Molecular Formula: | C21 H18 Br N5 O2 |
| Smiles: | Cc1ccc(C2Cn3c(CO2)c(c2nc(c4cccc(c4)[Br])no2)nn3)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.235 |
| logD: | 5.235 |
| logSw: | -5.1208 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 66.165 |
| InChI Key: | ZDFMLGMORSXQLQ-GOSISDBHSA-N |