AC1NRC9F
6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile
Also Known As: 6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile|6-(4-Benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-({4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C29H33N5O3S2 |
|---|---|
| Molecular Weight | 563.20245 g/mol |
| LogP | 3.7507 |
| Topological Polar Surface Area | 81.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 563.20245 |
| Monoisotopic Mass | 563.20245 |
| Heavy Atoms | 39 |
| Complexity | 1384.3586 |
Chemical Identifiers
| CAS Number | 7063-65-2 |
|---|---|
| SMILES | CCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CC3CCCO3)N4CCN(CC4)CC5=CC=CC=C5 |
Product Overview
AC1NRC9F (CAS 7063-65-2), with molecular formula C29H33N5O3S2 and molecular weight 563.20245 g/mol. IUPAC: 6-(4-benzylpiperazin-1-yl)-1-ethyl-4-methyl-2-oxo-5-[[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile.