AC1NRD7C
6-(azepan-1-yl)-1-ethyl-5-[[3-(2-methoxyethyl)-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-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-2-oxopyridine-3-carbonitrile|6-(Azepan-1-yl)-1-ethyl-5-{[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C22H28N4O3S2 |
|---|---|
| Molecular Weight | 460.16028 g/mol |
| LogP | 3.2763 |
| Topological Polar Surface Area | 78.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.16028 |
| Monoisotopic Mass | 460.16028 |
| Heavy Atoms | 31 |
| Complexity | 1001.4791 |
Chemical Identifiers
| CAS Number | 7063-94-7 |
|---|---|
| SMILES | CCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CCOC)N3CCCCCC3 |
Product Overview
AC1NRD7C (CAS 7063-94-7), with molecular formula C22H28N4O3S2 and molecular weight 460.16028 g/mol. IUPAC: 6-(azepan-1-yl)-1-ethyl-5-[[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-2-oxopyridine-3-carbonitrile.
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