TL;DR: (5E)-1-cyclohexyl-5-[1-(furan-2-ylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione (CAS 1164470-83-0) is a chemical compound with molecular formula C18H23N3O4 and molecular weight 345.16885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-cyclohexyl-5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: (5E)-1-cyclohexyl-5-[1-(furan-2-ylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione, (5E)-1-cyclohexyl-5-[1-(2-furfurylamino)propylidene]barbituric acid, (E)-1-cyclohexyl-5-(1-((furan-2-ylmethyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-cyclohexyl-5-[1-(2-furanylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione, 1-cyclohexyl-5-[1-(furan-2-ylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C18H23N3O4 |
| Molecular Weight | 345.16885 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 95.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.16885 Da |
| Heavy Atoms | 25 |
| Complexity | 593.0 |
| SMILES | CCC(=NCC1=CC=CO1)C2=C(N(C(=O)NC2=O)C3CCCCC3)O |
| InChIKey | ZCNQMVAUDLJVKX-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-cyclohexyl-5-[1-(furan-2-ylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-cyclohexyl-5-[1-(furan-2-ylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5E)-1-cyclohexyl-5-[1-(furan-2-ylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5E)-1-cyclohexyl-5-[1-(furan-2-ylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione is 1164470-83-0.
The molecular formula of (5E)-1-cyclohexyl-5-[1-(furan-2-ylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione is C18H23N3O4.
The molecular weight of (5E)-1-cyclohexyl-5-[1-(furan-2-ylmethylamino)propylidene]-1,3-diazinane-2,4,6-trione is 345.16885 g/mol.
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