AC1NRC0R
11-[5-[[5-cyano-1-ethyl-2-(4-ethylpiperazin-1-yl)-4-methyl-6-oxo-3-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
Also Known As: 11-(5-{[5-Cyano-1-ethyl-2-(4-ethylpiperazin-1-yl)-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid|11-[5-[[5-cyano-1-ethyl-2-(4-ethylpiperazin-1-yl)-4-methyl-6-oxopyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
| Molecular Formula | C30H43N5O4S2 |
|---|---|
| Molecular Weight | 601.27563 g/mol |
| LogP | 4.9869 |
| Topological Polar Surface Area | 109.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 601.27563 |
| Monoisotopic Mass | 601.27563 |
| Heavy Atoms | 41 |
| Complexity | 1244.739 |
Chemical Identifiers
| CAS Number | 7063-59-4 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=C(C(=C(C(=O)N2CC)C#N)C)C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O |
Product Overview
AC1NRC0R (CAS 7063-59-4), with molecular formula C30H43N5O4S2 and molecular weight 601.27563 g/mol. IUPAC: 11-[5-[[5-cyano-1-ethyl-2-(4-ethylpiperazin-1-yl)-4-methyl-6-oxo-3-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid.
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