3-hydroxy-7-(3-methoxyphenyl)-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-(3-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
3-hydroxy-7-(3-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Compound characteristics
| Compound ID: | D005-0184 |
| Compound Name: | 3-hydroxy-7-(3-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C22 H20 N2 O3 S |
| Smiles: | Cc1ccc(cc1)C1(CSC2=C(C#N)C(CC(N12)=O)c1cccc(c1)OC)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6594 |
| logD: | 3.6594 |
| logSw: | -3.9355 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.261 |
| InChI Key: | KGNWLLADAZBYSQ-UHFFFAOYSA-N |