4-[2-(3,4-diethoxyphenyl)ethyl]-5-{5-[(4-ethylphenoxy)methyl]furan-2-yl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[2-(3,4-diethoxyphenyl)ethyl]-5-{5-[(4-ethylphenoxy)methyl]furan-2-yl}-4H-1,2,4-triazole-3-thiol
4-[2-(3,4-diethoxyphenyl)ethyl]-5-{5-[(4-ethylphenoxy)methyl]furan-2-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-4837 |
| Compound Name: | 4-[2-(3,4-diethoxyphenyl)ethyl]-5-{5-[(4-ethylphenoxy)methyl]furan-2-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 493.62 |
| Molecular Formula: | C27 H31 N3 O4 S |
| Smiles: | CCc1ccc(cc1)OCc1ccc(c2nnc(n2CCc2ccc(c(c2)OCC)OCC)S)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.4027 |
| logD: | 5.2949 |
| logSw: | -5.4491 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.182 |
| InChI Key: | XZFRQFXBIUBGDB-UHFFFAOYSA-N |