5-[(4-cyclohexylphenoxy)methyl]-2-{[4-(2-ethoxyphenyl)piperazin-1-yl]methyl}-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-[(4-cyclohexylphenoxy)methyl]-2-{[4-(2-ethoxyphenyl)piperazin-1-yl]methyl}-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-[(4-cyclohexylphenoxy)methyl]-2-{[4-(2-ethoxyphenyl)piperazin-1-yl]methyl}-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8008-5043 |
| Compound Name: | 5-[(4-cyclohexylphenoxy)methyl]-2-{[4-(2-ethoxyphenyl)piperazin-1-yl]methyl}-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 521.73 |
| Molecular Formula: | C29 H39 N5 O2 S |
| Smiles: | CCOc1ccccc1N1CCN(CC1)CN1C(N(C)C(COc2ccc(cc2)C2CCCCC2)=N1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.9775 |
| logD: | 4.1287 |
| logSw: | -5.4921 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.747 |
| InChI Key: | GXPLFDSPRKZYPC-UHFFFAOYSA-N |