2-[(4-methylpiperidin-1-yl)methyl]-5-(phenoxymethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
2-[(4-methylpiperidin-1-yl)methyl]-5-(phenoxymethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
2-[(4-methylpiperidin-1-yl)methyl]-5-(phenoxymethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8008-1830 |
| Compound Name: | 2-[(4-methylpiperidin-1-yl)methyl]-5-(phenoxymethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 394.54 |
| Molecular Formula: | C22 H26 N4 O S |
| Smiles: | CC1CCN(CC1)CN1C(N(C(COc2ccccc2)=N1)c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.1511 |
| logD: | 1.6127 |
| logSw: | -4.0849 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.0081 |
| InChI Key: | KFCGJEJQHLRZNF-UHFFFAOYSA-N |