3-(4-fluorophenyl)-3-hydroxy-7-[4-(methylsulfanyl)phenyl]-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Chemical Structure Depiction of
3-(4-fluorophenyl)-3-hydroxy-7-[4-(methylsulfanyl)phenyl]-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
3-(4-fluorophenyl)-3-hydroxy-7-[4-(methylsulfanyl)phenyl]-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Compound characteristics
| Compound ID: | D005-0266 |
| Compound Name: | 3-(4-fluorophenyl)-3-hydroxy-7-[4-(methylsulfanyl)phenyl]-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile |
| Molecular Weight: | 412.5 |
| Molecular Formula: | C21 H17 F N2 O2 S2 |
| Smiles: | CSc1ccc(cc1)C1CC(N2C(=C1C#N)SCC2(c1ccc(cc1)F)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9275 |
| logD: | 3.9275 |
| logSw: | -4.0566 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.717 |
| InChI Key: | OHLDLRSTDAEROJ-UHFFFAOYSA-N |