AC1NRGH1
6-(4-benzylpiperazin-1-yl)-1-butyl-5-[(3-dodecyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxopyridine-3-carbonitrile
Also Known As: 6-(4-Benzylpiperazin-1-yl)-1-butyl-5-[(3-dodecyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile|6-(4-benzylpiperazin-1-yl)-1-butyl-5-[(3-dodecyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxopyridine-3-carbonitrile
| Molecular Formula | C38H53N5O2S2 |
|---|---|
| Molecular Weight | 675.3641 g/mol |
| LogP | 8.2728 |
| Topological Polar Surface Area | 72.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 18 |
| Exact Mass | 675.3641 |
| Monoisotopic Mass | 675.3641 |
| Heavy Atoms | 47 |
| Complexity | 1471.6163 |
Chemical Identifiers
| CAS Number | 7064-91-7 |
|---|---|
| SMILES | CCCCCCCCCCCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)CCCC)N3CCN(CC3)CC4=CC=CC=C4)SC1=S |
Product Overview
AC1NRGH1 (CAS 7064-91-7), with molecular formula C38H53N5O2S2 and molecular weight 675.3641 g/mol. IUPAC: 6-(4-benzylpiperazin-1-yl)-1-butyl-5-[(3-dodecyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methyl-2-oxopyridine-3-carbonitrile.
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