3-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Chemical Structure Depiction of
3-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
3-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Compound characteristics
| Compound ID: | D005-0112 |
| Compound Name: | 3-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C23 H22 N2 O5 S |
| Smiles: | Cc1ccc(cc1)C1(CSC2=C(C#N)C(CC(N12)=O)c1cc(c(c(c1)OC)O)OC)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6725 |
| logD: | 2.6707 |
| logSw: | -2.6892 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.457 |
| InChI Key: | YNZIQDZQJLWIMO-UHFFFAOYSA-N |