TL;DR: (5Z)-5-[4-(diethylamino)benzylidene]-3-(4-ethoxyphenyl)-2-thioxoimidazolidin-4-one (CAS 799837-91-5) is a chemical compound with molecular formula C22H25N3O2S and molecular weight 395.16675 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-(4-ethoxyphenyl)-2-sulfanylideneimidazolidin-4-one
Also Known As: (5Z)-5-[4-(diethylamino)benzylidene]-3-(4-ethoxyphenyl)-2-thioxoimidazolidin-4-one, (Z)-5-(4-(diethylamino)benzylidene)-3-(4-ethoxyphenyl)-2-thioxoimidazolidin-4-one, (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-(4-ethoxyphenyl)-2-sulfanylideneimidazolidin-4-one
| Molecular Formula | C22H25N3O2S |
| Molecular Weight | 395.16675 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 76.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.16675 Da |
| Heavy Atoms | 28 |
| Complexity | 574.0 |
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)N2)C3=CC=C(C=C3)OCC |
| InChIKey | GMGWLIZIJBKKAY-HKWRFOASSA-N |
The XLogP value of 4.6 indicates that (5Z)-5-[4-(diethylamino)benzylidene]-3-(4-ethoxyphenyl)-2-thioxoimidazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-[4-(diethylamino)benzylidene]-3-(4-ethoxyphenyl)-2-thioxoimidazolidin-4-one. Following Lipinski's Rule of Five, (5Z)-5-[4-(diethylamino)benzylidene]-3-(4-ethoxyphenyl)-2-thioxoimidazolidin-4-one 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 (5Z)-5-[4-(diethylamino)benzylidene]-3-(4-ethoxyphenyl)-2-thioxoimidazolidin-4-one is 799837-91-5.
The molecular formula of (5Z)-5-[4-(diethylamino)benzylidene]-3-(4-ethoxyphenyl)-2-thioxoimidazolidin-4-one is C22H25N3O2S.
The molecular weight of (5Z)-5-[4-(diethylamino)benzylidene]-3-(4-ethoxyphenyl)-2-thioxoimidazolidin-4-one is 395.16675 g/mol.
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