5-[(2-methylphenoxy)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-[(2-methylphenoxy)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-[(2-methylphenoxy)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8016-3006 |
| Compound Name: | 5-[(2-methylphenoxy)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 408.56 |
| Molecular Formula: | C23 H28 N4 O S |
| Smiles: | CC1CCN(CC1)CN1C(N(C(COc2ccccc2C)=N1)c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.6543 |
| logD: | 2.1159 |
| logSw: | -4.4717 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.0948 |
| InChI Key: | DBRQLIXLKFWHTO-UHFFFAOYSA-N |