3-(3,4-dimethoxyphenyl)-3-hydroxy-5-oxo-7-[4-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-3-hydroxy-5-oxo-7-[4-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
3-(3,4-dimethoxyphenyl)-3-hydroxy-5-oxo-7-[4-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Compound characteristics
| Compound ID: | D005-0269 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-3-hydroxy-5-oxo-7-[4-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile |
| Molecular Weight: | 476.47 |
| Molecular Formula: | C23 H19 F3 N2 O4 S |
| Smiles: | COc1ccc(cc1OC)C1(CSC2=C(C#N)C(CC(N12)=O)c1ccc(cc1)C(F)(F)F)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6503 |
| logD: | 3.6503 |
| logSw: | -4.01 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.978 |
| InChI Key: | ZGEOPYRCHAYTJN-UHFFFAOYSA-N |