TL;DR: (Z)-5-((2-(2,6-dimethylmorpholino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(1-phenylethyl)-2-thioxothiazolidin-4-one (CAS 1025579-75-2) is a chemical compound with molecular formula C27H28N4O3S2 and molecular weight 520.1603 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[[2-(2,6-dimethylmorpholin-4-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (Z)-5-((2-(2,6-dimethylmorpholino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(1-phenylethyl)-2-thioxothiazolidin-4-one, 2-(2,6-dimethylmorpholin-4-yl)-9-methyl-3-{(Z)-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one, (5Z)-5-[[2-(2,6-dimethylmorpholin-4-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-{[2-(2,6-DIMETHYLMORPHOLIN-4-YL)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLIDENE}-3-(1-PHENYLETHYL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE
| Molecular Formula | C27H28N4O3S2 |
| Molecular Weight | 520.1603 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 520.1603 Da |
| Heavy Atoms | 36 |
| Complexity | 1120.0 |
| SMILES | CC1CN(CC(O1)C)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C\4/C(=O)N(C(=S)S4)C(C)C5=CC=CC=C5 |
| InChIKey | VUBYFKBTSGCYHA-XKZIYDEJSA-N |
The XLogP value of 4.3 indicates that (Z)-5-((2-(2,6-dimethylmorpholino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(1-phenylethyl)-2-thioxothiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-5-((2-(2,6-dimethylmorpholino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(1-phenylethyl)-2-thioxothiazolidin-4-one. Following Lipinski's Rule of Five, (Z)-5-((2-(2,6-dimethylmorpholino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(1-phenylethyl)-2-thioxothiazolidin-4-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (Z)-5-((2-(2,6-dimethylmorpholino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(1-phenylethyl)-2-thioxothiazolidin-4-one is 1025579-75-2.
The molecular formula of (Z)-5-((2-(2,6-dimethylmorpholino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(1-phenylethyl)-2-thioxothiazolidin-4-one is C27H28N4O3S2.
The molecular weight of (Z)-5-((2-(2,6-dimethylmorpholino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(1-phenylethyl)-2-thioxothiazolidin-4-one is 520.1603 g/mol.
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