7-(2,3-dimethoxyphenyl)-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-(2,3-dimethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
7-(2,3-dimethoxyphenyl)-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: | D005-0044 |
| Compound Name: | 7-(2,3-dimethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C22 H19 F N2 O4 S |
| Smiles: | COc1cccc(C2CC(N3C(=C2C#N)SCC3(c2ccc(cc2)F)O)=O)c1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1472 |
| logD: | 3.1472 |
| logSw: | -3.1662 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.064 |
| InChI Key: | HPLRULNUOFVJME-UHFFFAOYSA-N |