AC1NRBLL
6-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-[[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile
Also Known As: 6-[4-(4-Fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile|6-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-[[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile
| Molecular Formula | C30H28FN5O2S2 |
|---|---|
| Molecular Weight | 573.1669 g/mol |
| LogP | 4.9935 |
| Topological Polar Surface Area | 72.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 573.1669 |
| Monoisotopic Mass | 573.1669 |
| Heavy Atoms | 40 |
| Complexity | 1604.2181 |
Chemical Identifiers
| CAS Number | 7063-45-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)C(C)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)F)C)C#N |
Product Overview
AC1NRBLL (CAS 7063-45-8), with molecular formula C30H28FN5O2S2 and molecular weight 573.1669 g/mol. IUPAC: 6-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-5-[[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]pyridine-3-carbonitrile.
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