7-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-yl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Chemical Structure Depiction of
7-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-yl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
7-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-yl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Compound characteristics
| Compound ID: | D005-0163 |
| Compound Name: | 7-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-yl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C20 H18 N2 O5 S |
| Smiles: | CCOc1cc(ccc1O)C1CC(N2C(=C1C#N)SCC2(c1ccco1)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0794 |
| logD: | 2.079 |
| logSw: | -2.5902 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.054 |
| InChI Key: | JSMNASGVINYDAH-UHFFFAOYSA-N |