1-{5-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]-2-(3-bromo-4-fluorophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]-2-(3-bromo-4-fluorophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
1-{5-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]-2-(3-bromo-4-fluorophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | F076-0392 |
| Compound Name: | 1-{5-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]-2-(3-bromo-4-fluorophenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one |
| Molecular Weight: | 451.21 |
| Molecular Formula: | C15 H12 Br F N8 O3 |
| Smiles: | CC(N1C(c2ccc(c(c2)[Br])F)OC(c2c(C)n(c3c(N)non3)nn2)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0287 |
| logD: | 2.0287 |
| logSw: | -2.3649 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.342 |
| InChI Key: | HWYRVRANZCOQST-HNNXBMFYSA-N |