5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-[(pyrrolidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-[(pyrrolidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-[(pyrrolidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8008-5038 |
| Compound Name: | 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-2-[(pyrrolidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 386.56 |
| Molecular Formula: | C21 H30 N4 O S |
| Smiles: | CN1C(COc2ccc(cc2)C2CCCCC2)=NN(CN2CCCC2)C1=S |
| Stereo: | ACHIRAL |
| logP: | 4.5235 |
| logD: | -0.2145 |
| logSw: | -4.1041 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.943 |
| InChI Key: | RAPOYVOFMUKUDR-UHFFFAOYSA-N |