3-(4-chlorophenyl)-7-(2,5-dimethoxyphenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Chemical Structure Depiction of
3-(4-chlorophenyl)-7-(2,5-dimethoxyphenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
3-(4-chlorophenyl)-7-(2,5-dimethoxyphenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Compound characteristics
| Compound ID: | D005-0050 |
| Compound Name: | 3-(4-chlorophenyl)-7-(2,5-dimethoxyphenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile |
| Molecular Weight: | 442.92 |
| Molecular Formula: | C22 H19 Cl N2 O4 S |
| Smiles: | COc1ccc(c(c1)C1CC(N2C(=C1C#N)SCC2(c1ccc(cc1)[Cl])O)=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0267 |
| logD: | 4.0267 |
| logSw: | -4.4986 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.891 |
| InChI Key: | ZABQWNSAWBCAIL-UHFFFAOYSA-N |