TL;DR: 1,3-Bis(4-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione (CAS 1023528-62-2) is a chemical compound with molecular formula C23H18N2O3S and molecular weight 402.10382 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis(4-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
Also Known As: 1,3-bis(4-methylphenyl)-5-(2-thienylmethylene)-1,3-diazaperhydroine-2,4,6-trione, 1,3-bis(4-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione, 1,3-bis(p-tolyl)-5-(2-thienylmethylene)hexahydropyrimidine-2,4,6-trione, 1,3-bis(4-methylphenyl)-5-[(thiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C23H18N2O3S |
| Molecular Weight | 402.10382 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 85.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.10382 Da |
| Heavy Atoms | 29 |
| Complexity | 644.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CS3)C(=O)N(C2=O)C4=CC=C(C=C4)C |
| InChIKey | OFMPMUAJQWFKKD-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 1,3-Bis(4-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(4-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 1,3-Bis(4-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-Bis(4-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione is 1023528-62-2.
The molecular formula of 1,3-Bis(4-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione is C23H18N2O3S.
The molecular weight of 1,3-Bis(4-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione is 402.10382 g/mol.
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