methyl 4-[8-cyano-3-hydroxy-3-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate
Compound characteristics
Compound ID: | D005-0291 |
Compound Name: | methyl 4-[8-cyano-3-hydroxy-3-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate |
Molecular Weight: | 436.49 |
Molecular Formula: | C23 H20 N2 O5 S |
Smiles: | COC(c1ccc(cc1)C1CC(N2C(=C1C#N)SCC2(c1ccc(cc1)OC)O)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.2522 |
logD: | 3.2522 |
logSw: | -3.2459 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.435 |
InChI Key: | NWUJIAQZFNHZDB-UHFFFAOYSA-N |