3-(4-chlorophenyl)-7-(3-fluorophenyl)-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-fluorophenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
3-(4-chlorophenyl)-7-(3-fluorophenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Compound characteristics
| Compound ID: | D005-0077 |
| Compound Name: | 3-(4-chlorophenyl)-7-(3-fluorophenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile |
| Molecular Weight: | 400.86 |
| Molecular Formula: | C20 H14 Cl F N2 O2 S |
| Smiles: | C1C(C(C#N)=C2N(C1=O)C(CS2)(c1ccc(cc1)[Cl])O)c1cccc(c1)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8965 |
| logD: | 3.8965 |
| logSw: | -4.482 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.717 |
| InChI Key: | JJIWXIQWPGESIL-UHFFFAOYSA-N |