1-(4-fluorophenyl)-2-{[5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-fluorophenyl)-2-{[5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-fluorophenyl)-2-{[5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8415-04035 |
| Compound Name: | 1-(4-fluorophenyl)-2-{[5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C23 H18 F N3 O2 S |
| Smiles: | COc1ccccc1c1nnc(n1c1ccccc1)SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4215 |
| logD: | 4.4214 |
| logSw: | -4.5358 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.59 |
| InChI Key: | KCKWMVZRDOHYMC-UHFFFAOYSA-N |