4-phenyl-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-phenyl-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-phenyl-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | K822-0409 |
| Compound Name: | 4-phenyl-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 254.31 |
| Molecular Formula: | C13 H10 N4 S |
| Smiles: | c1ccc(cc1)N1C(c2cccnc2)=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 1.7143 |
| logD: | 0.2355 |
| logSw: | -0.8621 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.975 |
| InChI Key: | MXPQWTUKCULYHR-UHFFFAOYSA-N |