3-hydroxy-3-(4-methylphenyl)-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-hydroxy-3-(4-methylphenyl)-5-oxo-7-[4-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
3-hydroxy-3-(4-methylphenyl)-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: | D005-0271 |
| Compound Name: | 3-hydroxy-3-(4-methylphenyl)-5-oxo-7-[4-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile |
| Molecular Weight: | 430.45 |
| Molecular Formula: | C22 H17 F3 N2 O2 S |
| Smiles: | Cc1ccc(cc1)C1(CSC2=C(C#N)C(CC(N12)=O)c1ccc(cc1)C(F)(F)F)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4752 |
| logD: | 4.4752 |
| logSw: | -4.2187 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.717 |
| InChI Key: | HHKDHQXLEGRPJT-UHFFFAOYSA-N |