4-benzyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-benzyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
4-benzyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-9007 |
| Compound Name: | 4-benzyl-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 297.38 |
| Molecular Formula: | C16 H15 N3 O S |
| Smiles: | COc1ccc(cc1)c1nnc(n1Cc1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 3.997 |
| logD: | 3.856 |
| logSw: | -4.2467 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.129 |
| InChI Key: | UWLJJENTOJDKBN-UHFFFAOYSA-N |