3-hydroxy-3-(3-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-(3-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-(3-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: | D005-0306 |
| Compound Name: | 3-hydroxy-3-(3-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(c1cccc(c1)OC)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9369 |
| logD: | 3.9369 |
| logSw: | -3.9985 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.396 |
| InChI Key: | RPMXHJFOYFVBRF-UHFFFAOYSA-N |