3-(furan-2-yl)-3-hydroxy-5-oxo-7-(3,4,5-trimethoxyphenyl)-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Chemical Structure Depiction of
3-(furan-2-yl)-3-hydroxy-5-oxo-7-(3,4,5-trimethoxyphenyl)-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
3-(furan-2-yl)-3-hydroxy-5-oxo-7-(3,4,5-trimethoxyphenyl)-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Compound characteristics
| Compound ID: | D005-0127 |
| Compound Name: | 3-(furan-2-yl)-3-hydroxy-5-oxo-7-(3,4,5-trimethoxyphenyl)-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile |
| Molecular Weight: | 428.46 |
| Molecular Formula: | C21 H20 N2 O6 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1CC(N2C(=C1C#N)SCC2(c1ccco1)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0447 |
| logD: | 2.0447 |
| logSw: | -2.7099 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.273 |
| InChI Key: | RVUFBOFIUNKIPT-UHFFFAOYSA-N |