N-butyl-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
Chemical Structure Depiction of
N-butyl-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
N-butyl-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
Compound characteristics
| Compound ID: | D349-3542 |
| Compound Name: | N-butyl-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline |
| Molecular Weight: | 328.33 |
| Molecular Formula: | C16 H16 N4 O4 |
| Smiles: | CCCCNc1ccc(cc1[N+]([O-])=O)c1nc(c2ccco2)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.2826 |
| logD: | 4.2826 |
| logSw: | -4.3216 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.953 |
| InChI Key: | MQNHLDVAZSKOQW-UHFFFAOYSA-N |