methyl 5-amino-6-cyano-7-(3-nitrophenyl)-2-[(3-nitrophenyl)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-(3-nitrophenyl)-2-[(3-nitrophenyl)methylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
methyl 5-amino-6-cyano-7-(3-nitrophenyl)-2-[(3-nitrophenyl)methylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Compound characteristics
| Compound ID: | 8008-1749 |
| Compound Name: | methyl 5-amino-6-cyano-7-(3-nitrophenyl)-2-[(3-nitrophenyl)methylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate |
| Molecular Weight: | 505.46 |
| Molecular Formula: | C23 H15 N5 O7 S |
| Smiles: | COC(C1C(C(C#N)=C(N)N2C=1SC(=C\c1cccc(c1)[N+]([O-])=O)\C2=O)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0936 |
| logD: | 3.0936 |
| logSw: | -3.3803 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 141.283 |
| InChI Key: | VVEHXXIJCBDXEY-SFHVURJKSA-N |