4-cyclohexyl-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-cyclohexyl-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-cyclohexyl-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 2219-0138 |
| Compound Name: | 4-cyclohexyl-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 319.42 |
| Molecular Formula: | C16 H21 N3 O2 S |
| Smiles: | COc1ccc(cc1OC)C1=NNC(N1C1CCCCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.6183 |
| logD: | 3.5188 |
| logSw: | -3.8678 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.067 |
| InChI Key: | OIASDNHOAPSECT-UHFFFAOYSA-N |