AC1NRGMM
1-butyl-5-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-(3-methylpiperidin-1-yl)-2-oxopyridine-3-carbonitrile
Also Known As: 1-Butyl-5-({3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4-methyl-6-(3-methylpiperidin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile|1-butyl-5-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-(3-methylpiperidin-1-yl)-2-oxopyridine-3-carbonitrile
| Molecular Formula | C28H31ClN4O2S2 |
|---|---|
| Molecular Weight | 554.1577 g/mol |
| LogP | 6.1196 |
| Topological Polar Surface Area | 69.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 554.1577 |
| Monoisotopic Mass | 554.1577 |
| Heavy Atoms | 37 |
| Complexity | 1361.1715 |
Chemical Identifiers
| CAS Number | 7064-96-2 |
|---|---|
| SMILES | CCCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3Cl)N4CCCC(C4)C |
Product Overview
AC1NRGMM (CAS 7064-96-2), with molecular formula C28H31ClN4O2S2 and molecular weight 554.1577 g/mol. IUPAC: 1-butyl-5-[[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-(3-methylpiperidin-1-yl)-2-oxopyridine-3-carbonitrile.