methyl 4-[8-cyano-3-(4-ethoxyphenyl)-3-hydroxy-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-(4-ethoxyphenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate
methyl 4-[8-cyano-3-(4-ethoxyphenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate
Compound characteristics
| Compound ID: | D005-0292 |
| Compound Name: | methyl 4-[8-cyano-3-(4-ethoxyphenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate |
| Molecular Weight: | 450.51 |
| Molecular Formula: | C24 H22 N2 O5 S |
| Smiles: | CCOc1ccc(cc1)C1(CSC2=C(C#N)C(CC(N12)=O)c1ccc(cc1)C(=O)OC)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6388 |
| logD: | 3.6388 |
| logSw: | -3.7195 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.014 |
| InChI Key: | RTNZBEYJDUTBKU-UHFFFAOYSA-N |