TL;DR: ethyl 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate (CAS 1022919-64-7) is a chemical compound with molecular formula C26H29FN4O5S and molecular weight 528.18427 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
Also Known As: ethyl 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate, ethyl 4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-thioxoimidazolidin-1-yl)benzoate, ethyl 4-(4-(2-((4-fluorophenyl)amino)-2-oxoethyl)-3-(2-morpholinoethyl)-5-oxo-2-thioxoimidazolidin-1-yl)benzoate, ETHYL 4-[4-[2-(4-FLUOROANILINO)-2-OXOETHYL]-3-(2-MORPHOLINOETHYL)-5-OXO-2-THIOXO-1-IMIDAZOLIDINYL]BENZOATE, C26H29FN4O5S
| Molecular Formula | C26H29FN4O5S |
| Molecular Weight | 528.18427 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 528.18427 Da |
| Heavy Atoms | 37 |
| Complexity | 826.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCN3CCOCC3)CC(=O)NC4=CC=C(C=C4)F |
| InChIKey | GNRARTGRMAJGMM-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate. Following Lipinski's Rule of Five, ethyl 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of ethyl 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate is 1022919-64-7.
The molecular formula of ethyl 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate is C26H29FN4O5S.
The molecular weight of ethyl 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate is 528.18427 g/mol.
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