5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-2-[(pyrrolidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-2-[(pyrrolidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-2-[(pyrrolidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8008-4310 |
| Compound Name: | 5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-2-[(pyrrolidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 448.63 |
| Molecular Formula: | C26 H32 N4 O S |
| Smiles: | C1CCC(CC1)c1ccc(cc1)OCC1=NN(CN2CCCC2)C(N1c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.7662 |
| logD: | 2.6554 |
| logSw: | -5.8244 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.2947 |
| InChI Key: | UWYFYRYWVIYUSC-UHFFFAOYSA-N |