1-[2-(4-chloro-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[2-(4-chloro-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[2-(4-chloro-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F076-0125 |
| Compound Name: | 1-[2-(4-chloro-3-nitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 390.74 |
| Molecular Formula: | C16 H11 Cl N4 O6 |
| Smiles: | CC(N1C(c2ccc(c(c2)[N+]([O-])=O)[Cl])OC(c2cccc(c2)[N+]([O-])=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4527 |
| logD: | 3.4527 |
| logSw: | -3.9923 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 101.713 |
| InChI Key: | NIKULBQRXLUZHX-INIZCTEOSA-N |