4-cyclopropyl-5-[(3,4-diethoxyphenyl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-cyclopropyl-5-[(3,4-diethoxyphenyl)methyl]-4H-1,2,4-triazole-3-thiol
4-cyclopropyl-5-[(3,4-diethoxyphenyl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-3976 |
| Compound Name: | 4-cyclopropyl-5-[(3,4-diethoxyphenyl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 319.42 |
| Molecular Formula: | C16 H21 N3 O2 S |
| Smiles: | CCOc1ccc(Cc2nnc(n2C2CC2)S)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 2.2313 |
| logD: | 2.1425 |
| logSw: | -2.363 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.019 |
| InChI Key: | DZQIXSKCATUDMX-UHFFFAOYSA-N |