AC1NRDB6
6-(azepan-1-yl)-1-ethyl-5-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-2-oxopyridine-3-carbonitrile
Also Known As: 6-(Azepan-1-yl)-1-ethyl-5-({3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile|6-(azepan-1-yl)-1-ethyl-5-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-2-oxopyridine-3-carbonitrile
| Molecular Formula | C27H30N4O3S2 |
|---|---|
| Molecular Weight | 522.1759 g/mol |
| LogP | 4.8387 |
| Topological Polar Surface Area | 78.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.1759 |
| Monoisotopic Mass | 522.1759 |
| Heavy Atoms | 36 |
| Complexity | 1300.2695 |
Chemical Identifiers
| CAS Number | 7063-96-9 |
|---|---|
| SMILES | CCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CC3=CC=C(C=C3)OC)N4CCCCCC4 |
Product Overview
AC1NRDB6 (CAS 7063-96-9), with molecular formula C27H30N4O3S2 and molecular weight 522.1759 g/mol. IUPAC: 6-(azepan-1-yl)-1-ethyl-5-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-2-oxopyridine-3-carbonitrile.
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