5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
Compound ID: | 7832-0070 |
Compound Name: | 5-(3-tert-butyl-1H-pyrazol-5-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol |
Molecular Weight: | 329.42 |
Molecular Formula: | C16 H19 N5 O S |
Smiles: | CC(C)(C)c1cc(c2nnc(n2c2ccc(cc2)OC)S)[nH]n1 |
Stereo: | ACHIRAL |
logP: | 3.4003 |
logD: | 2.5094 |
logSw: | -3.6321 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 53.763 |
InChI Key: | XSJJVBYKWXEQKQ-UHFFFAOYSA-N |