3-(4-chlorophenyl)-7-(3,4-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-(3,4-dimethoxyphenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Compound characteristics
| Compound ID: | D005-0194 |
| Compound Name: | 3-(4-chlorophenyl)-7-(3,4-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(cc1OC)C1CC(N2C(=C1C#N)SCC2(c1ccc(cc1)[Cl])O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4731 |
| logD: | 3.4731 |
| logSw: | -4.25 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.978 |
| InChI Key: | DNFKMJHARIPFJR-UHFFFAOYSA-N |