AC1NRBML
5-[(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile
Also Known As: 5-[(3-Cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile|5-[(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile
| Molecular Formula | C27H28FN5O2S2 |
|---|---|
| Molecular Weight | 537.1669 g/mol |
| LogP | 4.1749 |
| Topological Polar Surface Area | 72.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 537.1669 |
| Monoisotopic Mass | 537.1669 |
| Heavy Atoms | 37 |
| Complexity | 1381.4773 |
Chemical Identifiers
| CAS Number | 7063-47-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)C3CCCC3)N4CCN(CC4)C5=CC=C(C=C5)F)C)C#N |
Product Overview
AC1NRBML (CAS 7063-47-0), with molecular formula C27H28FN5O2S2 and molecular weight 537.1669 g/mol. IUPAC: 5-[(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile.
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