N-benzyl-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-benzyl-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-benzyl-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D419-0038 |
| Compound Name: | N-benzyl-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C23 H20 N4 O S |
| Smiles: | C(c1ccccc1)NC(CSc1nnc(c2ccccc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2422 |
| logD: | 4.2422 |
| logSw: | -4.3049 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.184 |
| InChI Key: | ICNVQJJXJQFDPK-UHFFFAOYSA-N |