2-(3,4-dimethoxyphenyl)-1-(5-{[(4-fluorophenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-1-(5-{[(4-fluorophenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one
2-(3,4-dimethoxyphenyl)-1-(5-{[(4-fluorophenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 6855-0152 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-1-(5-{[(4-fluorophenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C25 H23 F N4 O3 |
| Smiles: | COc1ccc(CC(n2c(NCc3ccc(cc3)F)nc(c3ccccc3)n2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.0696 |
| logD: | 4.067 |
| logSw: | -4.254 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.96 |
| InChI Key: | FUBBIJCXUCYZTK-UHFFFAOYSA-N |