N-{4-[3-ethoxy-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{4-[3-ethoxy-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
N-{4-[3-ethoxy-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | V025-4135 |
| Compound Name: | N-{4-[3-ethoxy-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide |
| Molecular Weight: | 443.46 |
| Molecular Formula: | C24 H21 N5 O4 |
| Smiles: | CCOc1nc(c2ccc(C)cc2)n(c2ccc(cc2)NC(c2ccc(cc2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.5051 |
| logD: | 5.505 |
| logSw: | -5.3868 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.286 |
| InChI Key: | JDMVKMFTVGUZDY-UHFFFAOYSA-N |