N-(4-bromophenyl)-2-[4-(butan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-[4-(butan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
N-(4-bromophenyl)-2-[4-(butan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Compound characteristics
| Compound ID: | J016-0731 |
| Compound Name: | N-(4-bromophenyl)-2-[4-(butan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide |
| Molecular Weight: | 429.31 |
| Molecular Formula: | C20 H21 Br N4 O2 |
| Smiles: | CCC(C)c1ccc(c(c1)n1cnnc1)OCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6314 |
| logD: | 4.6312 |
| logSw: | -4.4043 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.433 |
| InChI Key: | BRNIMOVMBJLUOY-AWEZNQCLSA-N |