2-[4-(butan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-(3-chloro-4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[4-(butan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-(3-chloro-4-fluorophenyl)acetamide
2-[4-(butan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-(3-chloro-4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | J016-0890 |
| Compound Name: | 2-[4-(butan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-(3-chloro-4-fluorophenyl)acetamide |
| Molecular Weight: | 402.85 |
| Molecular Formula: | C20 H20 Cl F N4 O2 |
| Smiles: | CCC(C)c1ccc(c(c1)n1cnnc1)OCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5277 |
| logD: | 4.5166 |
| logSw: | -4.7555 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.433 |
| InChI Key: | YZRFISFXBSAWTA-ZDUSSCGKSA-N |