N-benzyl-2-nitro-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
Chemical Structure Depiction of
N-benzyl-2-nitro-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
N-benzyl-2-nitro-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
Compound characteristics
| Compound ID: | D349-3621 |
| Compound Name: | N-benzyl-2-nitro-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]aniline |
| Molecular Weight: | 338.36 |
| Molecular Formula: | C18 H18 N4 O3 |
| Smiles: | CC(C)c1nc(c2ccc(c(c2)[N+]([O-])=O)NCc2ccccc2)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.4251 |
| logD: | 4.4251 |
| logSw: | -4.3797 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.533 |
| InChI Key: | PFCMTQYJYKLKEK-UHFFFAOYSA-N |