N-(3-{3-[(4-fluorophenyl)methoxy]-5-(3-methoxyphenyl)-1H-1,2,4-triazol-1-yl}phenyl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(3-{3-[(4-fluorophenyl)methoxy]-5-(3-methoxyphenyl)-1H-1,2,4-triazol-1-yl}phenyl)-4-nitrobenzamide
N-(3-{3-[(4-fluorophenyl)methoxy]-5-(3-methoxyphenyl)-1H-1,2,4-triazol-1-yl}phenyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | V025-5114 |
| Compound Name: | N-(3-{3-[(4-fluorophenyl)methoxy]-5-(3-methoxyphenyl)-1H-1,2,4-triazol-1-yl}phenyl)-4-nitrobenzamide |
| Molecular Weight: | 539.52 |
| Molecular Formula: | C29 H22 F N5 O5 |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)c1nc(nn1c1cccc(c1)NC(c1ccc(cc1)[N+]([O-])=O)=O)OCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 6.5566 |
| logD: | 6.5566 |
| logSw: | -5.7694 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.934 |
| InChI Key: | UBRSXEPQSBJWTA-UHFFFAOYSA-N |