2-(4-chloro-3,5-dimethylphenoxy)-N-{[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-(4-chloro-3,5-dimethylphenoxy)-N-{[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide
2-(4-chloro-3,5-dimethylphenoxy)-N-{[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | J011-0139 |
| Compound Name: | 2-(4-chloro-3,5-dimethylphenoxy)-N-{[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}acetamide |
| Molecular Weight: | 427.91 |
| Molecular Formula: | C20 H18 Cl N5 O2 S |
| Smiles: | Cc1cc(cc(C)c1[Cl])OCC(NCc1ccc(cc1)c1nn2cnnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6385 |
| logD: | 3.6385 |
| logSw: | -4.3278 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.343 |
| InChI Key: | PAHJBPAGWOBXTI-UHFFFAOYSA-N |