1-[5-{5-bromo-2-[(propan-2-yl)oxy]phenyl}-2-(4-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-{5-bromo-2-[(propan-2-yl)oxy]phenyl}-2-(4-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[5-{5-bromo-2-[(propan-2-yl)oxy]phenyl}-2-(4-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F076-2027 |
| Compound Name: | 1-[5-{5-bromo-2-[(propan-2-yl)oxy]phenyl}-2-(4-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 448.27 |
| Molecular Formula: | C19 H18 Br N3 O5 |
| Smiles: | CC(C)Oc1ccc(cc1C1=NN(C(c2ccc(cc2)[N+]([O-])=O)O1)C(C)=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6412 |
| logD: | 4.6412 |
| logSw: | -4.5747 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.522 |
| InChI Key: | LPSJVJRSQYUFCP-LJQANCHMSA-N |