methyl 4-[8-cyano-3-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate
Compound characteristics
| Compound ID: | D005-0287 |
| Compound Name: | methyl 4-[8-cyano-3-(3,4-dimethoxyphenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate |
| Molecular Weight: | 466.51 |
| Molecular Formula: | C24 H22 N2 O6 S |
| Smiles: | COC(c1ccc(cc1)C1CC(N2C(=C1C#N)SCC2(c1ccc(c(c1)OC)OC)O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8683 |
| logD: | 2.8683 |
| logSw: | -3.1144 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.152 |
| InChI Key: | ROAWDCQVWQMBLZ-UHFFFAOYSA-N |