methyl 4-[3-(4-chlorophenyl)-8-cyano-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-[3-(4-chlorophenyl)-8-cyano-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate
methyl 4-[3-(4-chlorophenyl)-8-cyano-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate
Compound characteristics
| Compound ID: | D005-0290 |
| Compound Name: | methyl 4-[3-(4-chlorophenyl)-8-cyano-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-7-yl]benzoate |
| Molecular Weight: | 440.9 |
| Molecular Formula: | C22 H17 Cl N2 O4 S |
| Smiles: | COC(c1ccc(cc1)C1CC(N2C(=C1C#N)SCC2(c1ccc(cc1)[Cl])O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8646 |
| logD: | 3.8646 |
| logSw: | -4.6659 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.891 |
| InChI Key: | LEMOSZUDSGHOLA-UHFFFAOYSA-N |