N-(2,5-dimethylphenyl)-2-({4-phenyl-5-[(4-propylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-2-({4-phenyl-5-[(4-propylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(2,5-dimethylphenyl)-2-({4-phenyl-5-[(4-propylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8013-9114 |
| Compound Name: | N-(2,5-dimethylphenyl)-2-({4-phenyl-5-[(4-propylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 486.64 |
| Molecular Formula: | C28 H30 N4 O2 S |
| Smiles: | CCCc1ccc(cc1)OCc1nnc(n1c1ccccc1)SCC(Nc1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5307 |
| logD: | 5.5306 |
| logSw: | -5.3149 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.639 |
| InChI Key: | UMNHBNBYYLEDBI-UHFFFAOYSA-N |