AC1NRE43
6-(4-benzylpiperidin-1-yl)-4-methyl-2-oxo-5-[[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1-propylpyridine-3-carbonitrile
Also Known As: 6-(4-Benzylpiperidin-1-yl)-4-methyl-2-oxo-5-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-propyl-1,2-dihydropyridine-3-carbonitrile|6-(4-benzylpiperidin-1-yl)-4-methyl-2-oxo-5-[(4-oxo-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-propylpyridine-3-carbonitrile
| Molecular Formula | C34H36N4O2S2 |
|---|---|
| Molecular Weight | 596.22797 g/mol |
| LogP | 6.3414 |
| Topological Polar Surface Area | 69.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 596.22797 |
| Monoisotopic Mass | 596.22797 |
| Heavy Atoms | 42 |
| Complexity | 1583.6986 |
Chemical Identifiers
| CAS Number | 7064-22-4 |
|---|---|
| SMILES | CCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CCC3=CC=CC=C3)N4CCC(CC4)CC5=CC=CC=C5 |
Product Overview
AC1NRE43 (CAS 7064-22-4), with molecular formula C34H36N4O2S2 and molecular weight 596.22797 g/mol. IUPAC: 6-(4-benzylpiperidin-1-yl)-4-methyl-2-oxo-5-[[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1-propylpyridine-3-carbonitrile.
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