7-(2,3-dimethoxyphenyl)-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-(2,3-dimethoxyphenyl)-3-(furan-2-yl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
7-(2,3-dimethoxyphenyl)-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: | D005-0037 |
| Compound Name: | 7-(2,3-dimethoxyphenyl)-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: | COc1cccc(C2CC(N3C(=C2C#N)SCC3(c2ccco2)O)=O)c1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2172 |
| logD: | 2.2172 |
| logSw: | -2.7064 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.643 |
| InChI Key: | QDJDZSCVFWBMRU-UHFFFAOYSA-N |