3-hydroxy-3-(4-methylphenyl)-5-oxo-7-{4-[(propan-2-yl)oxy]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-[(propan-2-yl)oxy]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-[(propan-2-yl)oxy]phenyl}-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Compound characteristics
| Compound ID: | D005-0366 |
| Compound Name: | 3-hydroxy-3-(4-methylphenyl)-5-oxo-7-{4-[(propan-2-yl)oxy]phenyl}-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C24 H24 N2 O3 S |
| Smiles: | CC(C)Oc1ccc(cc1)C1CC(N2C(=C1C#N)SCC2(c1ccc(C)cc1)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.269 |
| logD: | 4.269 |
| logSw: | -4.1134 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.52 |
| InChI Key: | PPPGFJBWWXLXBZ-UHFFFAOYSA-N |