AC1LYS29
2-[(5Z)-5-[[2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: (Z)-2-(5-((2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid|[(5Z)-5-({2-[(2-methylpropyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid|2-[(5Z)-5-[[2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C18H18N4O4S2 |
|---|---|
| Molecular Weight | 418.07693 g/mol |
| LogP | 2.0482 |
| Topological Polar Surface Area | 104.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.07693 |
| Monoisotopic Mass | 418.07693 |
| Heavy Atoms | 28 |
| Complexity | 1061.2219 |
Chemical Identifiers
| CAS Number | 608496-75-9 |
|---|---|
| SMILES | CC(C)CNC1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)CC(=O)O |
Product Overview
AC1LYS29 (CAS 608496-75-9), with molecular formula C18H18N4O4S2 and molecular weight 418.07693 g/mol. IUPAC: 2-[(5Z)-5-[[2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.