2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C592-3813 |
| Compound Name: | 2-{[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 420.58 |
| Molecular Formula: | C24 H28 N4 O S |
| Smiles: | Cc1ccc(cc1)NC(CSc1nnc(c2ccc(cc2)C(C)(C)C)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2591 |
| logD: | 6.259 |
| logSw: | -5.49 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.368 |
| InChI Key: | TYBZVGOCVPUDSP-UHFFFAOYSA-N |