N-{4-[3-(2-ethoxyethoxy)-5-(2-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-{4-[3-(2-ethoxyethoxy)-5-(2-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3,5-dinitrobenzamide
N-{4-[3-(2-ethoxyethoxy)-5-(2-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | V015-3800 |
| Compound Name: | N-{4-[3-(2-ethoxyethoxy)-5-(2-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3,5-dinitrobenzamide |
| Molecular Weight: | 536.48 |
| Molecular Formula: | C25 H21 F N6 O7 |
| Salt: | not_available |
| Smiles: | CCOCCOc1nc(c2ccccc2F)n(c2ccc(cc2)NC(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5922 |
| logD: | 4.5754 |
| logSw: | -4.4591 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 128.939 |
| InChI Key: | XNFKLOZGHBTLPH-UHFFFAOYSA-N |