1-[2-{3-methoxy-4-[(5-nitropyridin-2-yl)oxy]phenyl}-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[2-{3-methoxy-4-[(5-nitropyridin-2-yl)oxy]phenyl}-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[2-{3-methoxy-4-[(5-nitropyridin-2-yl)oxy]phenyl}-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F076-0580 |
| Compound Name: | 1-[2-{3-methoxy-4-[(5-nitropyridin-2-yl)oxy]phenyl}-5-(3-nitrophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 479.4 |
| Molecular Formula: | C22 H17 N5 O8 |
| Smiles: | CC(N1C(c2ccc(c(c2)OC)Oc2ccc(cn2)[N+]([O-])=O)OC(c2cccc(c2)[N+]([O-])=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6873 |
| logD: | 3.6873 |
| logSw: | -4.0657 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 125.517 |
| InChI Key: | YNTVRLPUAXGXMR-QFIPXVFZSA-N |