AC1LYQXA
2-[(5E)-5-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: (E)-2-(5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid|2-[(5E)-5-({2-[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL}METHYLIDENE)-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]ACETIC ACID|2-[(5E)-5-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C25H22FN5O4S2 |
|---|---|
| Molecular Weight | 539.10974 g/mol |
| LogP | 2.75442 |
| Topological Polar Surface Area | 98.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 539.10974 |
| Monoisotopic Mass | 539.10974 |
| Heavy Atoms | 37 |
| Complexity | 1513.9911 |
Chemical Identifiers
| CAS Number | 608495-61-0 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O)N4CCN(CC4)C5=CC=C(C=C5)F |
Product Overview
AC1LYQXA (CAS 608495-61-0), with molecular formula C25H22FN5O4S2 and molecular weight 539.10974 g/mol. IUPAC: 2-[(5E)-5-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
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