AC1NRBF3
ethyl 1-[3-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-5-cyano-1,4-dimethyl-6-oxo-2-pyridinyl]piperidine-4-carboxylate
Also Known As: Ethyl 1-[3-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-cyano-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl]piperidine-4-carboxylate|ethyl 1-[3-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-5-cyano-1,4-dimethyl-6-oxopyridin-2-yl]piperidine-4-carboxylate
| Molecular Formula | C28H28N4O6S2 |
|---|---|
| Molecular Weight | 580.145 g/mol |
| LogP | 3.475 |
| Topological Polar Surface Area | 114.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 580.145 |
| Monoisotopic Mass | 580.145 |
| Heavy Atoms | 40 |
| Complexity | 1534.6602 |
Chemical Identifiers
| CAS Number | 7063-40-3 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C2=C(C(=C(C(=O)N2C)C#N)C)C=C3C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
AC1NRBF3 (CAS 7063-40-3), with molecular formula C28H28N4O6S2 and molecular weight 580.145 g/mol. IUPAC: ethyl 1-[3-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-5-cyano-1,4-dimethyl-6-oxo-2-pyridinyl]piperidine-4-carboxylate.