7-(2,3-dimethoxyphenyl)-3-hydroxy-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Chemical Structure Depiction of
7-(2,3-dimethoxyphenyl)-3-hydroxy-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
7-(2,3-dimethoxyphenyl)-3-hydroxy-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Compound characteristics
| Compound ID: | D005-0040 |
| Compound Name: | 7-(2,3-dimethoxyphenyl)-3-hydroxy-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C23 H22 N2 O4 S |
| Smiles: | Cc1ccc(cc1)C1(CSC2=C(C#N)C(CC(N12)=O)c1cccc(c1OC)OC)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5415 |
| logD: | 3.5415 |
| logSw: | -3.598 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.064 |
| InChI Key: | KTTVGPPYBKWRMT-UHFFFAOYSA-N |