AC1NRD4L
5-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-2-oxopyridine-3-carbonitrile
Also Known As: 5-({3-[2-(3,4-Dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-1-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile|5-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-2-oxopyridine-3-carbonitrile
| Molecular Formula | C33H34FN5O4S2 |
|---|---|
| Molecular Weight | 647.2036 g/mol |
| LogP | 4.9751 |
| Topological Polar Surface Area | 91.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 647.2036 |
| Monoisotopic Mass | 647.2036 |
| Heavy Atoms | 45 |
| Complexity | 1758.5342 |
Chemical Identifiers
| CAS Number | 7063-91-4 |
|---|---|
| SMILES | CCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CCC3=CC(=C(C=C3)OC)OC)N4CCN(CC4)C5=CC=C(C=C5)F |
Product Overview
AC1NRD4L (CAS 7063-91-4), with molecular formula C33H34FN5O4S2 and molecular weight 647.2036 g/mol. IUPAC: 5-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-2-oxopyridine-3-carbonitrile.