7-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Chemical Structure Depiction of
7-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
7-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Compound characteristics
| Compound ID: | D005-0047 |
| Compound Name: | 7-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile |
| Molecular Weight: | 468.53 |
| Molecular Formula: | C24 H24 N2 O6 S |
| Smiles: | COc1ccc(c(c1)C1CC(N2C(=C1C#N)SCC2(c1ccc(c(c1)OC)OC)O)=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0304 |
| logD: | 3.0304 |
| logSw: | -3.1757 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.152 |
| InChI Key: | LLIATVXWSXRXTK-UHFFFAOYSA-N |