4-[2-(3,4-diethoxyphenyl)ethyl]-5-{5-[(2,4-dimethylphenoxy)methyl]furan-2-yl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[2-(3,4-diethoxyphenyl)ethyl]-5-{5-[(2,4-dimethylphenoxy)methyl]furan-2-yl}-4H-1,2,4-triazole-3-thiol
4-[2-(3,4-diethoxyphenyl)ethyl]-5-{5-[(2,4-dimethylphenoxy)methyl]furan-2-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5691 |
| Compound Name: | 4-[2-(3,4-diethoxyphenyl)ethyl]-5-{5-[(2,4-dimethylphenoxy)methyl]furan-2-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 493.62 |
| Molecular Formula: | C27 H31 N3 O4 S |
| Smiles: | CCOc1ccc(CCn2c(c3ccc(COc4ccc(C)cc4C)o3)nnc2S)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 5.5967 |
| logD: | 5.4889 |
| logSw: | -5.4278 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.269 |
| InChI Key: | QUDFDTCPXFDWPW-UHFFFAOYSA-N |