N-(4-bromophenyl)-2-[4-(propan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-[4-(propan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
N-(4-bromophenyl)-2-[4-(propan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Compound characteristics
| Compound ID: | J016-0552 |
| Compound Name: | N-(4-bromophenyl)-2-[4-(propan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide |
| Molecular Weight: | 415.29 |
| Molecular Formula: | C19 H19 Br N4 O2 |
| Smiles: | CC(C)c1ccc(c(c1)n1cnnc1)OCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2691 |
| logD: | 4.2688 |
| logSw: | -4.3365 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.433 |
| InChI Key: | XQYJSBOFKFMZMJ-UHFFFAOYSA-N |