2-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
2-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
2-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
Compound ID: | 8016-3007 |
Compound Name: | 2-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
Molecular Weight: | 428.56 |
Molecular Formula: | C25 H24 N4 O S |
Smiles: | COc1ccc(cc1)C1=NN(CN2CCc3ccccc3C2)C(N1c1ccccc1)=S |
Stereo: | ACHIRAL |
logP: | 5.0536 |
logD: | 4.946 |
logSw: | -4.5843 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 30.8588 |
InChI Key: | RAGTXGGQGAGLSA-UHFFFAOYSA-N |