TL;DR: 1,3-bis(3-methylphenyl)-5-((4-methylthiophenyl)methylene)-1,3-diazaperhydroine-2,4,6-trione (CAS 1274903-36-4) is a chemical compound with molecular formula C26H22N2O3S and molecular weight 442.1351 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis(3-methylphenyl)-5-[(4-methylsulfanylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: 1,3-bis(3-methylphenyl)-5-((4-methylthiophenyl)methylene)-1,3-diazaperhydroine-2,4,6-trione, 1,3-bis(3-methylphenyl)-5-[(4-methylsulfanylphenyl)methylidene]-1,3-diazinane-2,4,6-trione, 5-[(4-methylsulfanylphenyl)methylene]-1,3-bis(m-tolyl)hexahydropyrimidine-2,4,6-trione, 1,3-bis(3-methylphenyl)-5-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
| Molecular Formula | C26H22N2O3S |
| Molecular Weight | 442.1351 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 83.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.1351 Da |
| Heavy Atoms | 32 |
| Complexity | 712.0 |
| SMILES | CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=C(C=C3)SC)C(=O)N(C2=O)C4=CC=CC(=C4)C |
| InChIKey | WLNCPOKREPTGMH-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 1,3-bis(3-methylphenyl)-5-((4-methylthiophenyl)methylene)-1,3-diazaperhydroine-2,4,6-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-bis(3-methylphenyl)-5-((4-methylthiophenyl)methylene)-1,3-diazaperhydroine-2,4,6-trione. Following Lipinski's Rule of Five, 1,3-bis(3-methylphenyl)-5-((4-methylthiophenyl)methylene)-1,3-diazaperhydroine-2,4,6-trione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,3-bis(3-methylphenyl)-5-((4-methylthiophenyl)methylene)-1,3-diazaperhydroine-2,4,6-trione is 1274903-36-4.
The molecular formula of 1,3-bis(3-methylphenyl)-5-((4-methylthiophenyl)methylene)-1,3-diazaperhydroine-2,4,6-trione is C26H22N2O3S.
The molecular weight of 1,3-bis(3-methylphenyl)-5-((4-methylthiophenyl)methylene)-1,3-diazaperhydroine-2,4,6-trione is 442.1351 g/mol.
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