TL;DR: 1-[2-(Diethylamino)ethyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione (CAS 110927-31-6) is a chemical compound with molecular formula C18H25N3O3 and molecular weight 331.1896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(diethylamino)ethyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: Hexamid, 1-Diethylaminoethylphenobarbital, 1-(2-Diethylaminoethyl)phenobarbital, F 156, F-156
| Molecular Formula | C18H25N3O3 |
| Molecular Weight | 331.1896 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.1896 Da |
| Heavy Atoms | 24 |
| Complexity | 484.0 |
| SMILES | CCC1(C(=O)NC(=O)N(C1=O)CCN(CC)CC)C2=CC=CC=C2 |
| InChIKey | JPSKYEDINNEHEB-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(Diethylamino)ethyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(Diethylamino)ethyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 1-[2-(Diethylamino)ethyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione has 1 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-[2-(Diethylamino)ethyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione is 110927-31-6.
The molecular formula of 1-[2-(Diethylamino)ethyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione is C18H25N3O3.
The molecular weight of 1-[2-(Diethylamino)ethyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione is 331.1896 g/mol.
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