3-(4-fluorophenyl)-3-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-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-hydroxy-3-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
3-(4-fluorophenyl)-3-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Compound characteristics
| Compound ID: | D005-0143 |
| Compound Name: | 3-(4-fluorophenyl)-3-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile |
| Molecular Weight: | 412.44 |
| Molecular Formula: | C21 H17 F N2 O4 S |
| Smiles: | COc1cc(ccc1O)C1CC(N2C(=C1C#N)SCC2(c1ccc(cc1)F)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4906 |
| logD: | 2.4898 |
| logSw: | -2.6707 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.895 |
| InChI Key: | IWICKLBRYYZFFV-UHFFFAOYSA-N |