2-[3-acetyl-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate
Chemical Structure Depiction of
2-[3-acetyl-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate
2-[3-acetyl-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate
Compound characteristics
| Compound ID: | G642-6442 |
| Compound Name: | 2-[3-acetyl-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate |
| Molecular Weight: | 413.34 |
| Molecular Formula: | C19 H15 N3 O8 |
| Smiles: | CC(N1C(c2ccccc2OC(C)=O)OC(c2cc3c(cc2[N+]([O-])=O)OCO3)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6366 |
| logD: | 2.6366 |
| logSw: | -3.3191 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 106.285 |
| InChI Key: | WAMPETQPIUKKEH-LJQANCHMSA-N |