5-amino-7-(2H-1,3-benzodioxol-5-yl)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-6-cyano-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
Chemical Structure Depiction of
5-amino-7-(2H-1,3-benzodioxol-5-yl)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-6-cyano-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
5-amino-7-(2H-1,3-benzodioxol-5-yl)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-6-cyano-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
Compound characteristics
| Compound ID: | 8018-5319 |
| Compound Name: | 5-amino-7-(2H-1,3-benzodioxol-5-yl)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-6-cyano-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide |
| Molecular Weight: | 488.48 |
| Molecular Formula: | C24 H16 N4 O6 S |
| Smiles: | C1Oc2ccc(\C=C3/C(N4C(=C(C#N)C(C(=C4S3)C(N)=O)c3ccc4c(c3)OCO4)N)=O)cc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.175 |
| logD: | 2.175 |
| logSw: | -2.7717 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 121.636 |
| InChI Key: | BGSXGMJANNIEGQ-IBGZPJMESA-N |