N-(4-{5-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(4-{5-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
N-(4-{5-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V004-5348 |
| Compound Name: | N-(4-{5-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1H-1,2,4-triazol-1-yl}phenyl)-3-nitrobenzamide |
| Molecular Weight: | 527.49 |
| Molecular Formula: | C28 H19 F2 N5 O4 |
| Salt: | not_available |
| Smiles: | C(c1ccc(cc1)F)Oc1nc(c2cccc(c2)F)n(c2ccc(cc2)NC(c2cccc(c2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.4064 |
| logD: | 6.4051 |
| logSw: | -6.1467 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.39 |
| InChI Key: | SMPRBEDHOUZZBU-UHFFFAOYSA-N |