1-(2,5-dimethoxyphenyl)-2-{[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2,5-dimethoxyphenyl)-2-{[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2,5-dimethoxyphenyl)-2-{[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | V015-3774 |
| Compound Name: | 1-(2,5-dimethoxyphenyl)-2-{[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 449.5 |
| Molecular Formula: | C24 H20 F N3 O3 S |
| Salt: | not_available |
| Smiles: | COc1ccc(c(c1)C(CSc1nnc(c2ccc(cc2)F)n1c1ccccc1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9347 |
| logD: | 4.9347 |
| logSw: | -4.7093 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.134 |
| InChI Key: | FZUGPPIIUPZBDA-UHFFFAOYSA-N |