2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)acetamide
Chemical Structure Depiction of
2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)acetamide
2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)acetamide
Compound characteristics
| Compound ID: | 8013-9125 |
| Compound Name: | 2-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)acetamide |
| Molecular Weight: | 555.53 |
| Molecular Formula: | C28 H28 Cl2 N4 O2 S |
| Smiles: | Cc1ccccc1n1c(COc2ccc(cc2)C(C)(C)C)nnc1SCC(Nc1c(cccc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.4879 |
| logD: | 7.4796 |
| logSw: | -6.3161 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.641 |
| InChI Key: | RPFGFTBJBUHWDA-UHFFFAOYSA-N |