AC1NSYGR
ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-7-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: BAS 00601877|BIM-0027128.P001|ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-7-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|SR-01000411880-1|ETHYL (2Z)-5-(2H-1,3-BENZODIOXOL-5-YL)-7-METHYL-2-{[5-(4-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-3-OXO-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE|Ethyl (2Z)-5-(2H-1,3-benzodioxol-5-yl)-7-methyl-2-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C28H21N3O8S |
|---|---|
| Molecular Weight | 559.1049 g/mol |
| LogP | 3.6952 |
| Topological Polar Surface Area | 135.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 559.1049 |
| Monoisotopic Mass | 559.1049 |
| Heavy Atoms | 40 |
| Complexity | 1881.1384 |
Chemical Identifiers
| CAS Number | 5656-94-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)/C(=C/C5=CC=C(O5)C6=CC=C(C=C6)[N+](=O)[O-])/S2)C |
Product Overview
AC1NSYGR (CAS 5656-94-0), with molecular formula C28H21N3O8S and molecular weight 559.1049 g/mol. IUPAC: ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-7-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.