N-butyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
Chemical Structure Depiction of
N-butyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
N-butyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
Compound characteristics
| Compound ID: | D349-2477 |
| Compound Name: | N-butyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C19 H20 N4 O3 |
| Smiles: | CCCCNc1ccc(cc1[N+]([O-])=O)c1nc(c2ccc(C)cc2)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.8484 |
| logD: | 5.8484 |
| logSw: | -5.4398 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.375 |
| InChI Key: | BLSOWCPTFDDXQP-UHFFFAOYSA-N |