methyl 5-amino-6-(benzenesulfonyl)-3-oxo-7-(pyridin-3-yl)-2-[(pyridin-3-yl)methylidene]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Chemical Structure Depiction of
methyl 5-amino-6-(benzenesulfonyl)-3-oxo-7-(pyridin-3-yl)-2-[(pyridin-3-yl)methylidene]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
methyl 5-amino-6-(benzenesulfonyl)-3-oxo-7-(pyridin-3-yl)-2-[(pyridin-3-yl)methylidene]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Compound characteristics
| Compound ID: | 5066-0219 |
| Compound Name: | methyl 5-amino-6-(benzenesulfonyl)-3-oxo-7-(pyridin-3-yl)-2-[(pyridin-3-yl)methylidene]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate |
| Molecular Weight: | 532.6 |
| Molecular Formula: | C26 H20 N4 O5 S2 |
| Smiles: | COC(C1C(C(=C(N)N2C=1SC(=C/c1cccnc1)\C2=O)S(c1ccccc1)(=O)=O)c1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4121 |
| logD: | 2.4121 |
| logSw: | -2.3334 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106 |
| InChI Key: | SEOQBBUYBNOTQV-FQEVSTJZSA-N |