AC1LYP7T
(5Z)-5-[[4-oxo-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (Z)-5-((2-((3-isopropoxypropyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isopropyl-2-thioxothiazolidin-4-one|(5Z)-5-[[4-oxo-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one|3-{(Z)-[4-oxo-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C21H26N4O3S2 |
|---|---|
| Molecular Weight | 446.14462 g/mol |
| LogP | 3.5311 |
| Topological Polar Surface Area | 75.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.14462 |
| Monoisotopic Mass | 446.14462 |
| Heavy Atoms | 30 |
| Complexity | 1046.2135 |
Chemical Identifiers
| CAS Number | 836643-14-2 |
|---|---|
| SMILES | CC(C)N1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)NCCCOC(C)C)/SC1=S |
Product Overview
AC1LYP7T (CAS 836643-14-2), with molecular formula C21H26N4O3S2 and molecular weight 446.14462 g/mol. IUPAC: (5Z)-5-[[4-oxo-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one.
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