5-[(4-cyclohexylphenoxy)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-[(4-cyclohexylphenoxy)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-[(4-cyclohexylphenoxy)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
Compound ID: | 8008-6453 |
Compound Name: | 5-[(4-cyclohexylphenoxy)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
Molecular Weight: | 476.68 |
Molecular Formula: | C28 H36 N4 O S |
Smiles: | CC1CCN(CC1)CN1C(N(C(COc2ccc(cc2)C2CCCCC2)=N1)c1ccccc1)=S |
Stereo: | ACHIRAL |
logP: | 6.5232 |
logD: | 3.9848 |
logSw: | -5.6977 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 30.9287 |
InChI Key: | YFUAXWWGCSAOAQ-UHFFFAOYSA-N |