N-benzyl-2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-benzyl-2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8007-3123 |
| Compound Name: | N-benzyl-2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 394.54 |
| Molecular Formula: | C22 H26 N4 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1C)SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6907 |
| logD: | 4.6907 |
| logSw: | -4.3778 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.522 |
| InChI Key: | ICHDQCLKMYSACB-UHFFFAOYSA-N |