TL;DR: 4,6(1H,5H)-Pyrimidinedione,dihydro-5-[(4-methoxyphenyl)methylene]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo- (CAS 141177-62-0) is a chemical compound with molecular formula C32H24N4O4S2 and molecular weight 592.1239 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(4-methoxyphenyl)methylidene]-1-[(2-oxo-2-phenothiazin-10-ylethyl)amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 4,6(1H,5H)-Pyrimidinedione,dihydro-5-[(4-methoxyphenyl)methylene]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo-, 10H-Phenothiazine, 10-(((tetrahydro-5-((4-methoxyphenyl)methylene)-4,6-dioxo-3-phenyl-2-thioxo-1(2H)-pyrimidinyl)amino)acetyl)-
| Molecular Formula | C32H24N4O4S2 |
| Molecular Weight | 592.1239 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 592.1239 Da |
| Heavy Atoms | 42 |
| Complexity | 1050.0 |
| SMILES | COC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N(C2=O)NCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6 |
| InChIKey | FHYIVSMSZXSMTK-UHFFFAOYSA-N |
The XLogP value of 6.0 indicates that 4,6(1H,5H)-Pyrimidinedione,dihydro-5-[(4-methoxyphenyl)methylene]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting 4,6(1H,5H)-Pyrimidinedione,dihydro-5-[(4-methoxyphenyl)methylene]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,6(1H,5H)-Pyrimidinedione,dihydro-5-[(4-methoxyphenyl)methylene]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo- has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4,6(1H,5H)-Pyrimidinedione,dihydro-5-[(4-methoxyphenyl)methylene]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo- is 141177-62-0.
The molecular formula of 4,6(1H,5H)-Pyrimidinedione,dihydro-5-[(4-methoxyphenyl)methylene]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo- is C32H24N4O4S2.
The molecular weight of 4,6(1H,5H)-Pyrimidinedione,dihydro-5-[(4-methoxyphenyl)methylene]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo- is 592.1239 g/mol.
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