4-benzyl-5-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-benzyl-5-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
4-benzyl-5-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8010-4697 |
| Compound Name: | 4-benzyl-5-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 295.4 |
| Molecular Formula: | C17 H17 N3 S |
| Smiles: | C(Cc1nnc(n1Cc1ccccc1)S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6692 |
| logD: | 2.8611 |
| logSw: | -3.926 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.6906 |
| InChI Key: | LFXOIUDSACXIBV-UHFFFAOYSA-N |