N-{4-[3-ethoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-{4-[3-ethoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-methyl-3-nitrobenzamide
N-{4-[3-ethoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V009-5074 |
| Compound Name: | N-{4-[3-ethoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 457.49 |
| Molecular Formula: | C25 H23 N5 O4 |
| Salt: | not_available |
| Smiles: | CCOc1nc(c2ccccc2C)n(c2ccc(cc2)NC(c2ccc(C)c(c2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.5876 |
| logD: | 5.586 |
| logSw: | -5.4081 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.985 |
| InChI Key: | DTCMSBQMFYGNCI-UHFFFAOYSA-N |