5-(3-methoxyphenyl)-4-phenyl-2-[(piperidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(3-methoxyphenyl)-4-phenyl-2-[(piperidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(3-methoxyphenyl)-4-phenyl-2-[(piperidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | IB03-4687 |
| Compound Name: | 5-(3-methoxyphenyl)-4-phenyl-2-[(piperidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C21 H24 N4 O S |
| Smiles: | COc1cccc(c1)C1=NN(CN2CCCCC2)C(N1c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.13 |
| logD: | 2.9 |
| logSw: | -4.48 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 96.01 |
| InChI Key: | QJLPVHZHKYAWHT-UHFFFAOYSA-N |