1-(2,5-dimethoxyphenyl)-2-{[5-(4-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2,5-dimethoxyphenyl)-2-{[5-(4-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(2,5-dimethoxyphenyl)-2-{[5-(4-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | V011-4970 |
| Compound Name: | 1-(2,5-dimethoxyphenyl)-2-{[5-(4-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 463.53 |
| Molecular Formula: | C25 H22 F N3 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccc(cc2)F)nnc1SCC(c1cc(ccc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4153 |
| logD: | 5.4153 |
| logSw: | -5.3766 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.833 |
| InChI Key: | BQNXBYAWABXUAV-UHFFFAOYSA-N |