N-{4-[5-(4-fluorophenyl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{4-[5-(4-fluorophenyl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
N-{4-[5-(4-fluorophenyl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V025-4379 |
| Compound Name: | N-{4-[5-(4-fluorophenyl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide |
| Molecular Weight: | 433.4 |
| Molecular Formula: | C22 H16 F N5 O4 |
| Salt: | not_available |
| Smiles: | COc1nc(c2ccc(cc2)F)n(c2ccc(cc2)NC(c2cccc(c2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.687 |
| logD: | 4.6857 |
| logSw: | -4.6383 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.707 |
| InChI Key: | KHFOXLGVBAVWDY-UHFFFAOYSA-N |