2-({5-[(3-ethyl-5-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-({5-[(3-ethyl-5-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide
2-({5-[(3-ethyl-5-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | 8018-0270 |
| Compound Name: | 2-({5-[(3-ethyl-5-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 486.64 |
| Molecular Formula: | C28 H30 N4 O2 S |
| Smiles: | CCc1cc(C)cc(c1)OCc1nnc(n1c1ccccc1)SCC(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0714 |
| logD: | 5.0714 |
| logSw: | -4.706 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.501 |
| InChI Key: | AKGHJBPYXCUUMP-UHFFFAOYSA-N |