5-[3-nitro-4-(pyrrolidin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-[3-nitro-4-(pyrrolidin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
5-[3-nitro-4-(pyrrolidin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | D349-2819 |
| Compound Name: | 5-[3-nitro-4-(pyrrolidin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 426.43 |
| Molecular Formula: | C21 H22 N4 O6 |
| Smiles: | COc1cc(cc(c1OC)OC)c1nc(c2ccc(c(c2)[N+]([O-])=O)N2CCCC2)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.0406 |
| logD: | 4.0406 |
| logSw: | -4.3277 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 91.22 |
| InChI Key: | BAGRSPVVDQAVNN-UHFFFAOYSA-N |