TL;DR: 4,6(1H,5H)-Pyrimidinedione,dihydro-5-[(4-hydroxy-3-methoxyphenyl)methylene]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo- (CAS 141177-59-5) is a chemical compound with molecular formula C32H24N4O5S2 and molecular weight 608.11884 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(4-hydroxy-3-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-hydroxy-3-methoxyphenyl)methylene]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo-, 10H-Phenothiazine, 10-(((tetrahydro-5-((4-hydroxy-3-methoxyphenyl)methylene)-4,6-dioxo-3-phenyl-2-thioxo-1(2H)-pyrimidinyl)amino)acetyl)-
| Molecular Formula | C32H24N4O5S2 |
| Molecular Weight | 608.11884 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 160.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 608.11884 Da |
| Heavy Atoms | 43 |
| Complexity | 1090.0 |
| SMILES | COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)N(C2=O)NCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6)O |
| InChIKey | FNCZSKPTOOJGLE-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 4,6(1H,5H)-Pyrimidinedione,dihydro-5-[(4-hydroxy-3-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 160.0 Ų indicates high polarity, suggesting 4,6(1H,5H)-Pyrimidinedione,dihydro-5-[(4-hydroxy-3-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-hydroxy-3-methoxyphenyl)methylene]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo- has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4,6(1H,5H)-Pyrimidinedione,dihydro-5-[(4-hydroxy-3-methoxyphenyl)methylene]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo- is 141177-59-5.
The molecular formula of 4,6(1H,5H)-Pyrimidinedione,dihydro-5-[(4-hydroxy-3-methoxyphenyl)methylene]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo- is C32H24N4O5S2.
The molecular weight of 4,6(1H,5H)-Pyrimidinedione,dihydro-5-[(4-hydroxy-3-methoxyphenyl)methylene]-1-[[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino]-3-phenyl-2-thioxo- is 608.11884 g/mol.
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