4-benzyl-5-(quinolin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-benzyl-5-(quinolin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-benzyl-5-(quinolin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | K822-0355 |
| Compound Name: | 4-benzyl-5-(quinolin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 318.4 |
| Molecular Formula: | C18 H14 N4 S |
| Smiles: | C(c1ccccc1)N1C(c2ccc3ccccc3n2)=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.4138 |
| logD: | 3.8427 |
| logSw: | -4.8694 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.916 |
| InChI Key: | WKKGAWDDMRVQJC-UHFFFAOYSA-N |