5-[(2-methylphenoxy)methyl]-4-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-[(2-methylphenoxy)methyl]-4-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-[(2-methylphenoxy)methyl]-4-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8016-2680 |
| Compound Name: | 5-[(2-methylphenoxy)methyl]-4-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 470.64 |
| Molecular Formula: | C28 H30 N4 O S |
| Smiles: | Cc1ccccc1OCC1=NN(CN2CCC(CC2)c2ccccc2)C(N1c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 6.0528 |
| logD: | 3.8268 |
| logSw: | -5.7057 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.8232 |
| InChI Key: | VWXDUYFAUMYBOE-UHFFFAOYSA-N |