3-(4-chlorophenyl)-3-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Chemical Structure Depiction of
3-(4-chlorophenyl)-3-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
3-(4-chlorophenyl)-3-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Compound characteristics
| Compound ID: | D005-0140 |
| Compound Name: | 3-(4-chlorophenyl)-3-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile |
| Molecular Weight: | 428.89 |
| Molecular Formula: | C21 H17 Cl N2 O4 S |
| Smiles: | COc1cc(ccc1O)C1CC(N2C(=C1C#N)SCC2(c1ccc(cc1)[Cl])O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0563 |
| logD: | 3.0554 |
| logSw: | -3.5159 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.895 |
| InChI Key: | CFGXOIAOQLKDKZ-UHFFFAOYSA-N |