N-(3-chloro-4-fluorophenyl)-2-{[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y206-3015 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 394.83 |
| Molecular Formula: | C17 H13 Cl F2 N4 O S |
| Smiles: | Cn1c(c2ccc(cc2)F)nnc1SCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9741 |
| logD: | 3.9659 |
| logSw: | -4.3323 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.2 |
| InChI Key: | ZQAUQWWEKRBGRN-UHFFFAOYSA-N |