3-(4-ethoxyphenyl)-3-hydroxy-5-oxo-7-(3,4,5-trimethoxyphenyl)-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-3-hydroxy-5-oxo-7-(3,4,5-trimethoxyphenyl)-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
3-(4-ethoxyphenyl)-3-hydroxy-5-oxo-7-(3,4,5-trimethoxyphenyl)-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Compound characteristics
| Compound ID: | D005-0133 |
| Compound Name: | 3-(4-ethoxyphenyl)-3-hydroxy-5-oxo-7-(3,4,5-trimethoxyphenyl)-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile |
| Molecular Weight: | 482.55 |
| Molecular Formula: | C25 H26 N2 O6 S |
| Smiles: | CCOc1ccc(cc1)C1(CSC2=C(C#N)C(CC(N12)=O)c1cc(c(c(c1)OC)OC)OC)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3146 |
| logD: | 3.3146 |
| logSw: | -3.4367 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.818 |
| InChI Key: | BNWSIQTVAVNJCP-UHFFFAOYSA-N |