N-(5-tert-butyl-3-chloro-2-hydroxyphenyl)-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Chemical Structure Depiction of
N-(5-tert-butyl-3-chloro-2-hydroxyphenyl)-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
N-(5-tert-butyl-3-chloro-2-hydroxyphenyl)-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Compound characteristics
| Compound ID: | J016-0075 |
| Compound Name: | N-(5-tert-butyl-3-chloro-2-hydroxyphenyl)-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide |
| Molecular Weight: | 414.89 |
| Molecular Formula: | C21 H23 Cl N4 O3 |
| Smiles: | Cc1ccc(c(c1)n1cnnc1)OCC(Nc1cc(cc(c1O)[Cl])C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5734 |
| logD: | 4.5691 |
| logSw: | -4.3593 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.214 |
| InChI Key: | YNMPWXIDZNNFIH-UHFFFAOYSA-N |