3-(3,4-dimethoxyphenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-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-7-(3-hydroxyphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
3-(3,4-dimethoxyphenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Compound characteristics
| Compound ID: | D005-0083 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile |
| Molecular Weight: | 424.47 |
| Molecular Formula: | C22 H20 N2 O5 S |
| Smiles: | COc1ccc(cc1OC)C1(CSC2=C(C#N)C(CC(N12)=O)c1cccc(c1)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3771 |
| logD: | 2.3736 |
| logSw: | -2.5087 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.595 |
| InChI Key: | LCURLRLVMSYLHJ-UHFFFAOYSA-N |