N-{4-[3-ethoxy-5-(3-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{4-[3-ethoxy-5-(3-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
N-{4-[3-ethoxy-5-(3-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | V025-1084 |
| Compound Name: | N-{4-[3-ethoxy-5-(3-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-nitrobenzamide |
| Molecular Weight: | 447.42 |
| Molecular Formula: | C23 H18 F N5 O4 |
| Smiles: | CCOc1nc(c2cccc(c2)F)n(c2ccc(cc2)NC(c2ccc(cc2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.2027 |
| logD: | 5.2026 |
| logSw: | -5.0845 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.286 |
| InChI Key: | MNAGJEJFCIMYOW-UHFFFAOYSA-N |