2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 8009-0189 |
| Compound Name: | 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide |
| Molecular Weight: | 491.05 |
| Molecular Formula: | C27 H27 Cl N4 O S |
| Smiles: | Cc1ccc(cc1NC(CSc1nnc(c2ccc(cc2)C(C)(C)C)n1c1ccccc1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.9176 |
| logD: | 6.9174 |
| logSw: | -6.2613 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.164 |
| InChI Key: | LLIGDSPROCJYSL-UHFFFAOYSA-N |