2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2-phenylethyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2-phenylethyl)acetamide
2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | 8011-8322 |
| Compound Name: | 2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2-phenylethyl)acetamide |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C23 H26 N4 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1C)SCC(NCC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3102 |
| logD: | 4.3102 |
| logSw: | -4.2248 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.769 |
| InChI Key: | VKMMRMWRCRROMG-UHFFFAOYSA-N |