N-{3-[3-ethoxy-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{3-[3-ethoxy-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
N-{3-[3-ethoxy-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V025-5728 |
| Compound Name: | N-{3-[3-ethoxy-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide |
| Molecular Weight: | 443.46 |
| Molecular Formula: | C24 H21 N5 O4 |
| Salt: | not_available |
| Smiles: | CCOc1nc(c2ccc(C)cc2)n(c2cccc(c2)NC(c2cccc(c2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.7563 |
| logD: | 5.7561 |
| logSw: | -5.4271 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.286 |
| InChI Key: | IPQLFOCHTKXOPO-UHFFFAOYSA-N |