3-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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: | D005-0128 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-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: | 498.55 |
| Molecular Formula: | C25 H26 N2 O7 S |
| Smiles: | COc1ccc(cc1OC)C1(CSC2=C(C#N)C(CC(N12)=O)c1cc(c(c(c1)OC)OC)OC)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5441 |
| logD: | 2.5441 |
| logSw: | -2.8875 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.956 |
| InChI Key: | TWUYYUIZWFSVES-UHFFFAOYSA-N |