2-[(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)methyl]-4-methyl-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
2-[(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)methyl]-4-methyl-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
2-[(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)methyl]-4-methyl-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
Compound ID: | 8008-4751 |
Compound Name: | 2-[(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)methyl]-4-methyl-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
Molecular Weight: | 396.51 |
Molecular Formula: | C21 H24 N4 O2 S |
Smiles: | CN1C(COc2ccccc2)=NN(CN2CCCc3cc(ccc23)OC)C1=S |
Stereo: | ACHIRAL |
logP: | 3.6957 |
logD: | 2.4355 |
logSw: | -4.0408 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 38.031 |
InChI Key: | LNUNRBGQENNTJM-UHFFFAOYSA-N |