4-benzyl-5-(4-butoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-benzyl-5-(4-butoxyphenyl)-4H-1,2,4-triazole-3-thiol
4-benzyl-5-(4-butoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 4386-4671 |
| Compound Name: | 4-benzyl-5-(4-butoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 339.46 |
| Molecular Formula: | C19 H21 N3 O S |
| Smiles: | CCCCOc1ccc(cc1)c1nnc(n1Cc1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 4.9547 |
| logD: | 4.3242 |
| logSw: | -4.5612 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.1321 |
| InChI Key: | MTIRRHNSBFLBAM-UHFFFAOYSA-N |