5-(3,4-dimethoxyphenyl)-4-phenyl-2-[(piperidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-4-phenyl-2-[(piperidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(3,4-dimethoxyphenyl)-4-phenyl-2-[(piperidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8012-4480 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-4-phenyl-2-[(piperidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 410.54 |
| Molecular Formula: | C22 H26 N4 O2 S |
| Smiles: | COc1ccc(cc1OC)C1=NN(CN2CCCCC2)C(N1c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.6871 |
| logD: | 2.7123 |
| logSw: | -3.9291 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.914 |
| InChI Key: | NPWBKOZVRBJRIU-UHFFFAOYSA-N |