3-hydroxy-7-(3-methoxy-4-propoxyphenyl)-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Chemical Structure Depiction of
3-hydroxy-7-(3-methoxy-4-propoxyphenyl)-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
3-hydroxy-7-(3-methoxy-4-propoxyphenyl)-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Compound characteristics
| Compound ID: | D005-0307 |
| Compound Name: | 3-hydroxy-7-(3-methoxy-4-propoxyphenyl)-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C25 H26 N2 O4 S |
| Smiles: | CCCOc1ccc(cc1OC)C1CC(N2C(=C1C#N)SCC2(c1ccc(C)cc1)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3239 |
| logD: | 4.3239 |
| logSw: | -4.1964 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.852 |
| InChI Key: | WIUMUMZSMGESLG-UHFFFAOYSA-N |