5-amino-7-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Chemical Structure Depiction of
5-amino-7-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
5-amino-7-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Compound characteristics
| Compound ID: | 5066-0064 |
| Compound Name: | 5-amino-7-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile |
| Molecular Weight: | 474.49 |
| Molecular Formula: | C24 H18 N4 O5 S |
| Smiles: | COc1cc(/C=C2/C(N3C(=C(C#N)C(C(C#N)=C3S2)c2ccc(c(c2)OC)O)N)=O)ccc1O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7513 |
| logD: | 1.7464 |
| logSw: | -2.2264 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 118.759 |
| InChI Key: | VXXCVDRTZFXXIN-NRFANRHFSA-N |