N-{3-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{3-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
N-{3-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | V026-1887 |
| Compound Name: | N-{3-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide |
| Molecular Weight: | 487.51 |
| Molecular Formula: | C26 H25 N5 O5 |
| Salt: | not_available |
| Smiles: | CCOCCOc1nc(c2ccccc2C)n(c2cccc(c2)NC(c2ccc(cc2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.0957 |
| logD: | 5.0957 |
| logSw: | -4.8519 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.558 |
| InChI Key: | WQCKZNACARLCJX-UHFFFAOYSA-N |