N-(2-tert-butylphenyl)-2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-tert-butylphenyl)-2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2-tert-butylphenyl)-2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | IB07-5744 |
| Compound Name: | N-(2-tert-butylphenyl)-2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 521.08 |
| Molecular Formula: | C28 H29 Cl N4 O2 S |
| Smiles: | CCOc1ccc(cc1)n1c(c2ccc(cc2)[Cl])nnc1SCC(Nc1ccccc1C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.84 |
| logD: | 6.84 |
| logSw: | -7.34 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.22 |
| InChI Key: | DPPUITYCQMOENC-UHFFFAOYSA-N |