AC1MMKS9

3-[5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Also Known As: 5-[[2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid|3-[5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Molecular Formula	C28H27N5O6S2
Molecular Weight	593.14026 g/mol
LogP	2.72972
Topological Polar Surface Area	116.92 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	7
Exact Mass	593.14026
Monoisotopic Mass	593.14026
Heavy Atoms	41
Complexity	1663.6511

Chemical Identifiers

CAS Number	607693-72-1
SMILES	CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC(=O)O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)C=C1