AC1NZCL8
(5Z)-3-benzyl-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one|(Z)-3-benzyl-5-((2-((2-hydroxy-2-phenylethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one|(5Z)-3-benzyl-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C27H22N4O3S2 |
|---|---|
| Molecular Weight | 514.11334 g/mol |
| LogP | 4.2414 |
| Topological Polar Surface Area | 86.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.11334 |
| Monoisotopic Mass | 514.11334 |
| Heavy Atoms | 36 |
| Complexity | 1520.8422 |
Chemical Identifiers
| CAS Number | 578745-75-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(N=C4C=CC=CN4C3=O)NCC(C5=CC=CC=C5)O)/SC2=S |
Product Overview
AC1NZCL8 (CAS 578745-75-2), with molecular formula C27H22N4O3S2 and molecular weight 514.11334 g/mol. IUPAC: (5Z)-3-benzyl-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.