4-(4-butylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(4-butylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
4-(4-butylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 5742-1008 |
| Compound Name: | 4-(4-butylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 310.42 |
| Molecular Formula: | C17 H18 N4 S |
| Smiles: | CCCCc1ccc(cc1)n1c(c2ccncc2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 4.0366 |
| logD: | 2.494 |
| logSw: | -3.9455 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.886 |
| InChI Key: | HTNCCFRXYJHPFT-UHFFFAOYSA-N |