5-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-hexylpentanamide
Chemical Structure Depiction of
5-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-hexylpentanamide
5-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-hexylpentanamide
Compound characteristics
| Compound ID: | V001-1067 |
| Compound Name: | 5-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-hexylpentanamide |
| Molecular Weight: | 450.65 |
| Molecular Formula: | C26 H34 N4 O S |
| Salt: | not_available |
| Smiles: | CCCCCCNC(CCCCSc1nnc(Cc2ccccc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1885 |
| logD: | 5.1885 |
| logSw: | -4.8757 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.273 |
| InChI Key: | BEIJQAPIKYVXAW-UHFFFAOYSA-N |