methyl 4-[8-cyano-3-hydroxy-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate
Chemical Structure Depiction of
methyl 4-[8-cyano-3-hydroxy-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate
methyl 4-[8-cyano-3-hydroxy-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate
Compound characteristics
| Compound ID: | D005-0289 |
| Compound Name: | methyl 4-[8-cyano-3-hydroxy-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C23 H20 N2 O4 S |
| Smiles: | Cc1ccc(cc1)C1(CSC2=C(C#N)C(CC(N12)=O)c1ccc(cc1)C(=O)OC)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6932 |
| logD: | 3.6932 |
| logSw: | -3.9068 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.891 |
| InChI Key: | QJQJWGUVKGCDQK-UHFFFAOYSA-N |