MLS000588074
(5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5E)-5-[4-(azepan-1-yl)benzylidene]-1-butyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione|(E)-5-(4-(azepan-1-yl)benzylidene)-1-butyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione|(5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione|5-[1-(4-Azepan-1-yl-phenyl)-meth-(E)-ylidene]-1-butyl-2-thioxo-dihydro-pyrimidine-4,6-dione
| Molecular Formula | C21H27N3O2S |
|---|---|
| Molecular Weight | 385.1824 g/mol |
| LogP | 3.4938 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.1824 |
| Monoisotopic Mass | 385.1824 |
| Heavy Atoms | 27 |
| Complexity | 734.2985 |
Chemical Identifiers
| CAS Number | 1164516-92-0 |
|---|---|
| SMILES | CCCCN1C(=O)/C(=C/C2=CC=C(C=C2)N3CCCCCC3)/C(=O)NC1=S |
Product Overview
MLS000588074 (CAS 1164516-92-0), with molecular formula C21H27N3O2S and molecular weight 385.1824 g/mol. IUPAC: (5E)-5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
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