2-{[5-(1-benzothiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzothiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
2-{[5-(1-benzothiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | Y205-6390 |
| Compound Name: | 2-{[5-(1-benzothiophen-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide |
| Molecular Weight: | 446.95 |
| Molecular Formula: | C20 H16 Cl F N4 O S2 |
| Smiles: | CCn1c(c2csc3ccccc23)nnc1SCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3208 |
| logD: | 5.3126 |
| logSw: | -5.8456 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.862 |
| InChI Key: | TZSCXDFOEPMALK-UHFFFAOYSA-N |