2-[(3,4-dihydroquinolin-1(2H)-yl)methyl]-5-(4-methylphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
2-[(3,4-dihydroquinolin-1(2H)-yl)methyl]-5-(4-methylphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
2-[(3,4-dihydroquinolin-1(2H)-yl)methyl]-5-(4-methylphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8011-5923 |
| Compound Name: | 2-[(3,4-dihydroquinolin-1(2H)-yl)methyl]-5-(4-methylphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 412.56 |
| Molecular Formula: | C25 H24 N4 S |
| Smiles: | Cc1ccc(cc1)C1=NN(CN2CCCc3ccccc23)C(N1c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.8131 |
| logD: | 5.8113 |
| logSw: | -5.6745 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 22.4833 |
| InChI Key: | KKMCFUYXOSYXGE-UHFFFAOYSA-N |