3-(4-fluorophenyl)-3-hydroxy-5-oxo-7-(3,4,5-trimethoxyphenyl)-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Chemical Structure Depiction of
3-(4-fluorophenyl)-3-hydroxy-5-oxo-7-(3,4,5-trimethoxyphenyl)-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
3-(4-fluorophenyl)-3-hydroxy-5-oxo-7-(3,4,5-trimethoxyphenyl)-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Compound characteristics
| Compound ID: | D005-0134 |
| Compound Name: | 3-(4-fluorophenyl)-3-hydroxy-5-oxo-7-(3,4,5-trimethoxyphenyl)-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile |
| Molecular Weight: | 456.49 |
| Molecular Formula: | C23 H21 F N2 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1CC(N2C(=C1C#N)SCC2(c1ccc(cc1)F)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9747 |
| logD: | 2.9747 |
| logSw: | -3.2017 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.695 |
| InChI Key: | QODNCGRRPKQFAF-UHFFFAOYSA-N |