N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Chemical Structure Depiction of
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Compound characteristics
| Compound ID: | J016-0055 |
| Compound Name: | N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide |
| Molecular Weight: | 454.96 |
| Molecular Formula: | C23 H27 Cl N6 O2 |
| Smiles: | CCN1CCN(CC1)c1ccc(cc1[Cl])NC(COc1ccc(C)cc1n1cnnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.459 |
| logD: | 3.1419 |
| logSw: | -3.6087 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.121 |
| InChI Key: | NUKCMOUDVHWVQW-UHFFFAOYSA-N |