AC1NRD5I
5-[(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-2-oxopyridine-3-carbonitrile
Also Known As: 5-[(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-2-oxopyridine-3-carbonitrile|5-[(3-Cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C28H30FN5O2S2 |
|---|---|
| Molecular Weight | 551.1825 g/mol |
| LogP | 4.6578 |
| Topological Polar Surface Area | 72.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 551.1825 |
| Monoisotopic Mass | 551.1825 |
| Heavy Atoms | 38 |
| Complexity | 1398.2931 |
Chemical Identifiers
| CAS Number | 7063-92-5 |
|---|---|
| SMILES | CCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)C3CCCC3)N4CCN(CC4)C5=CC=C(C=C5)F |
Product Overview
AC1NRD5I (CAS 7063-92-5), with molecular formula C28H30FN5O2S2 and molecular weight 551.1825 g/mol. IUPAC: 5-[(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-2-oxopyridine-3-carbonitrile.
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