7-(3-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Chemical Structure Depiction of
7-(3-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
7-(3-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Compound characteristics
| Compound ID: | D005-0026 |
| Compound Name: | 7-(3-chlorophenyl)-3-(4-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)F)O)c1cccc(c1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8478 |
| logD: | 3.8478 |
| logSw: | -4.3163 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.717 |
| InChI Key: | WFNZASUITNFXFI-UHFFFAOYSA-N |