AC1NRD0O
5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-2-oxopyridine-3-carbonitrile
Also Known As: 5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-2-oxopyridine-3-carbonitrile|5-{[3-(Butan-2-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C27H30FN5O2S2 |
|---|---|
| Molecular Weight | 539.1825 g/mol |
| LogP | 4.5137 |
| Topological Polar Surface Area | 72.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 539.1825 |
| Monoisotopic Mass | 539.1825 |
| Heavy Atoms | 37 |
| Complexity | 1372.0721 |
Chemical Identifiers
| CAS Number | 7063-88-9 |
|---|---|
| SMILES | CCC(C)N1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)CC)N3CCN(CC3)C4=CC=CC=C4F)SC1=S |
Product Overview
AC1NRD0O (CAS 7063-88-9), with molecular formula C27H30FN5O2S2 and molecular weight 539.1825 g/mol. IUPAC: 5-[(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-2-oxopyridine-3-carbonitrile.
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