3-hydroxy-3-(4-methoxyphenyl)-7-(3-methoxy-4-propoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Chemical Structure Depiction of
3-hydroxy-3-(4-methoxyphenyl)-7-(3-methoxy-4-propoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
3-hydroxy-3-(4-methoxyphenyl)-7-(3-methoxy-4-propoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Compound characteristics
Compound ID: | D005-0309 |
Compound Name: | 3-hydroxy-3-(4-methoxyphenyl)-7-(3-methoxy-4-propoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile |
Molecular Weight: | 466.56 |
Molecular Formula: | C25 H26 N2 O5 S |
Smiles: | CCCOc1ccc(cc1OC)C1CC(N2C(=C1C#N)SCC2(c1ccc(cc1)OC)O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.8829 |
logD: | 3.8829 |
logSw: | -3.9714 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.396 |
InChI Key: | UNMGJXRJWBULFK-UHFFFAOYSA-N |