5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
Compound ID: | 6049-0383 |
Compound Name: | 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol |
Molecular Weight: | 295.75 |
Molecular Formula: | C11 H10 Cl N5 O S |
Smiles: | Cn1cc(c(c2nnc(n2Cc2ccco2)S)n1)[Cl] |
Stereo: | ACHIRAL |
logP: | 1.5604 |
logD: | 1.3418 |
logSw: | -2.2396 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 45.819 |
InChI Key: | XTNNCTQIZGQSPD-UHFFFAOYSA-N |