N-{4-[3-(2-ethoxyethoxy)-5-(3-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{4-[3-(2-ethoxyethoxy)-5-(3-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
N-{4-[3-(2-ethoxyethoxy)-5-(3-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V025-1142 |
| Compound Name: | N-{4-[3-(2-ethoxyethoxy)-5-(3-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide |
| Molecular Weight: | 491.48 |
| Molecular Formula: | C25 H22 F N5 O5 |
| Smiles: | CCOCCOc1nc(c2cccc(c2)F)n(c2ccc(cc2)NC(c2cccc(c2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.9224 |
| logD: | 4.9212 |
| logSw: | -4.6684 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.558 |
| InChI Key: | PCDRRFNTBSNXGI-UHFFFAOYSA-N |