AC1NZI1I

4-[(5Z)-5-[[2-(3-imidazol-1-ylpropylamino)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Also Known As: 4-(5-((2-((3-(1H-Imidazol-1-yl)propyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid|(Z)-4-(5-((2-((3-(1H-imidazol-1-yl)propyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid|4-{(5Z)-5-[(2-{[3-(1H-imidazol-1-yl)propyl]amino}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid|4-[(5Z)-5-[[2-(3-imidazol-1-ylpropylamino)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid|4-{(5Z)-5-[(2-{[3-(1H-imidazol-1-yl)propyl]amino}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid

Molecular Formula	C23H24N6O4S2
Molecular Weight	512.13007 g/mol
LogP	2.76762
Topological Polar Surface Area	121.83 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	10
Exact Mass	512.13007
Monoisotopic Mass	512.13007
Heavy Atoms	35
Complexity	1366.3337

Chemical Identifiers

CAS Number	469879-38-7
SMILES	CC1=CN2C(=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CCCC(=O)O)NCCCN4C=CN=C4)C=C1