2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-tert-butylacetamide
Chemical Structure Depiction of
2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-tert-butylacetamide
2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-tert-butylacetamide
Compound characteristics
| Compound ID: | 8016-2994 |
| Compound Name: | 2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-tert-butylacetamide |
| Molecular Weight: | 318.44 |
| Molecular Formula: | C16 H22 N4 O S |
| Smiles: | CC(C)(C)NC(CSc1nnc(Cc2ccccc2)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2582 |
| logD: | 2.2582 |
| logSw: | -2.6625 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.594 |
| InChI Key: | DCZRUIINCCXBQS-UHFFFAOYSA-N |