methyl 5-amino-6-cyano-7-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Chemical Structure Depiction of
methyl 5-amino-6-cyano-7-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
methyl 5-amino-6-cyano-7-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Compound characteristics
| Compound ID: | 5066-0066 |
| Compound Name: | methyl 5-amino-6-cyano-7-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate |
| Molecular Weight: | 507.52 |
| Molecular Formula: | C25 H21 N3 O7 S |
| Smiles: | COC(C1C(C(C#N)=C(N)N2C=1SC(=C/c1ccc(c(c1)OC)O)\C2=O)c1ccc(c(c1)OC)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8404 |
| logD: | 1.8355 |
| logSw: | -2.2693 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 122.877 |
| InChI Key: | AOWXLDRYZMSULN-FQEVSTJZSA-N |