TL;DR: 4,6(1H,5H)-Pyrimidinedione,dihydro-5-[(2-hydroxyphenyl)methylene]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo- (CAS 141177-60-8) is a chemical compound with molecular formula C31H22N4O4S2 and molecular weight 578.1083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(2-hydroxyphenyl)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-[(2-hydroxyphenyl)methylene]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo-, 10H-Phenothiazine, 10-(((tetrahydro-5-((2-hydroxyphenyl)methylene)-4,6-dioxo-3-phenyl-2-thioxo-1(2H)-pyrimidinyl)amino)acetyl)-
| Molecular Formula | C31H22N4O4S2 |
| Molecular Weight | 578.1083 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 151.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 578.1083 Da |
| Heavy Atoms | 41 |
| Complexity | 1040.0 |
| SMILES | C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CC=C3O)C(=O)N(C2=S)NCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64 |
| InChIKey | QGUIBHBPYYSHQM-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 4,6(1H,5H)-Pyrimidinedione,dihydro-5-[(2-hydroxyphenyl)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 151.0 Ų indicates high polarity, suggesting 4,6(1H,5H)-Pyrimidinedione,dihydro-5-[(2-hydroxyphenyl)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-[(2-hydroxyphenyl)methylene]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo- has 2 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-[(2-hydroxyphenyl)methylene]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo- is 141177-60-8.
The molecular formula of 4,6(1H,5H)-Pyrimidinedione,dihydro-5-[(2-hydroxyphenyl)methylene]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo- is C31H22N4O4S2.
The molecular weight of 4,6(1H,5H)-Pyrimidinedione,dihydro-5-[(2-hydroxyphenyl)methylene]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo- is 578.1083 g/mol.
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