4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
Compound ID: | 5731-0248 |
Compound Name: | 4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol |
Molecular Weight: | 257.31 |
Molecular Formula: | C13 H11 N3 O S |
Smiles: | C(c1ccccc1)n1c(c2ccco2)nnc1S |
Stereo: | ACHIRAL |
logP: | 2.4719 |
logD: | 2.226 |
logSw: | -2.4388 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 31.2928 |
InChI Key: | IIPXKZSQUBMCAG-UHFFFAOYSA-N |