N-{4-[3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{4-[3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
N-{4-[3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V007-0961 |
| Compound Name: | N-{4-[3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide |
| Molecular Weight: | 503.51 |
| Molecular Formula: | C26 H25 N5 O6 |
| Salt: | not_available |
| Smiles: | CCOCCOc1nc(c2ccc(cc2)OC)n(c2ccc(cc2)NC(c2cccc(c2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.7838 |
| logD: | 4.7826 |
| logSw: | -4.6323 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.102 |
| InChI Key: | QQHMTYGGEXGVLO-UHFFFAOYSA-N |