N-(4-chlorophenyl)-2-{[5-(3,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[5-(3,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-chlorophenyl)-2-{[5-(3,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | IB07-9679 |
| Compound Name: | N-(4-chlorophenyl)-2-{[5-(3,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 498.96 |
| Molecular Formula: | C24 H20 Cl F N4 O3 S |
| Smiles: | COc1cc(cc(c1)OC)c1nnc(n1c1ccc(cc1)F)SCC(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.38 |
| logD: | 5.38 |
| logSw: | -6.5 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 137.32 |
| InChI Key: | PUKVJWCAOWGSPM-UHFFFAOYSA-N |