5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-2-[(piperidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-2-[(piperidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-2-[(piperidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8017-4245 |
| Compound Name: | 5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-2-[(piperidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 408.56 |
| Molecular Formula: | C23 H28 N4 O S |
| Smiles: | Cc1ccc(cc1C)OCC1=NN(CN2CCCCC2)C(N1c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.8254 |
| logD: | 2.151 |
| logSw: | -4.5112 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.0081 |
| InChI Key: | WVGQHEHVGFSAOU-UHFFFAOYSA-N |