N-(4-iodo-2-methylphenyl)-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Chemical Structure Depiction of
N-(4-iodo-2-methylphenyl)-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
N-(4-iodo-2-methylphenyl)-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
Compound characteristics
| Compound ID: | J016-0028 |
| Compound Name: | N-(4-iodo-2-methylphenyl)-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide |
| Molecular Weight: | 448.26 |
| Molecular Formula: | C18 H17 I N4 O2 |
| Smiles: | Cc1ccc(c(c1)n1cnnc1)OCC(Nc1ccc(cc1C)I)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8951 |
| logD: | 3.8948 |
| logSw: | -3.9508 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.735 |
| InChI Key: | UWBNPPQSKUYAPO-UHFFFAOYSA-N |