2-{3-acetyl-5-[4-(2-methylbenzamido)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-6-methoxy-4-nitrophenyl acetate
Chemical Structure Depiction of
2-{3-acetyl-5-[4-(2-methylbenzamido)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-6-methoxy-4-nitrophenyl acetate
2-{3-acetyl-5-[4-(2-methylbenzamido)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-6-methoxy-4-nitrophenyl acetate
Compound characteristics
| Compound ID: | G642-2080 |
| Compound Name: | 2-{3-acetyl-5-[4-(2-methylbenzamido)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl}-6-methoxy-4-nitrophenyl acetate |
| Molecular Weight: | 532.51 |
| Molecular Formula: | C27 H24 N4 O8 |
| Smiles: | CC(N1C(c2cc(cc(c2OC(C)=O)OC)[N+]([O-])=O)OC(c2ccc(cc2)NC(c2ccccc2C)=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7962 |
| logD: | 3.7951 |
| logSw: | -4.0967 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 120.279 |
| InChI Key: | JMHMDPSERFEDKC-MHZLTWQESA-N |