N-[(4-methylphenyl)methyl]-2-nitro-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-nitro-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
N-[(4-methylphenyl)methyl]-2-nitro-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
Compound characteristics
| Compound ID: | D349-3374 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-nitro-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]aniline |
| Molecular Weight: | 387.4 |
| Molecular Formula: | C21 H17 N5 O3 |
| Smiles: | Cc1ccc(CNc2ccc(cc2[N+]([O-])=O)c2nc(c3ccncc3)no2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5011 |
| logD: | 4.501 |
| logSw: | -4.2499 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.69 |
| InChI Key: | QEACLPNJOYYSDJ-UHFFFAOYSA-N |