5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-[(piperidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-[(piperidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-[(piperidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8008-5022 |
| Compound Name: | 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-[(piperidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 400.59 |
| Molecular Formula: | C22 H32 N4 O S |
| Smiles: | CN1C(COc2ccc(cc2)C2CCCCC2)=NN(CN2CCCCC2)C1=S |
| Stereo: | ACHIRAL |
| logP: | 4.89 |
| logD: | 0.5888 |
| logSw: | -4.3898 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.5774 |
| InChI Key: | XEKBYCPBOTYGRI-UHFFFAOYSA-N |