N-{4-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-{4-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-methyl-3-nitrobenzamide
N-{4-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V007-4847 |
| Compound Name: | N-{4-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 501.54 |
| Molecular Formula: | C27 H27 N5 O5 |
| Salt: | not_available |
| Smiles: | CCOCCOc1nc(c2ccc(C)cc2)n(c2ccc(cc2)NC(c2ccc(C)c(c2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.6271 |
| logD: | 5.6256 |
| logSw: | -5.3392 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.257 |
| InChI Key: | GSTLLYJXSOHERN-UHFFFAOYSA-N |