TL;DR: 4-[(2Z)-2-[2-(4-fluorophenoxy)ethylidene]-5-nitro-3H-1-benzofuran-3-yl]morpholine (CAS 1164496-62-1) is a chemical compound with molecular formula C20H19FN2O5 and molecular weight 386.1278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(2Z)-2-[2-(4-fluorophenoxy)ethylidene]-5-nitro-3H-1-benzofuran-3-yl]morpholine
Also Known As: 4-[(2Z)-2-[2-(4-fluorophenoxy)ethylidene]-5-nitro-3H-1-benzofuran-3-yl]morpholine, (Z)-4-(2-(2-(4-fluorophenoxy)ethylidene)-5-nitro-2,3-dihydrobenzofuran-3-yl)morpholine, 4-{2-[2-(4-fluorophenoxy)ethylidene]-5-nitro-2,3-dihydro-1-benzofuran-3-yl}morpholine, 4-{(2Z)-2-[2-(4-fluorophenoxy)ethylidene]-5-nitro-2,3-dihydro-1-benzofuran-3-yl}morpholine
| Molecular Formula | C20H19FN2O5 |
| Molecular Weight | 386.1278 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 76.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.1278 Da |
| Heavy Atoms | 28 |
| Complexity | 569.0 |
| SMILES | C1COCCN1C\2C3=C(C=CC(=C3)[N+](=O)[O-])O/C2=C\COC4=CC=C(C=C4)F |
| InChIKey | KMVDMQZVRNHJDE-GXHLCREISA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2Z)-2-[2-(4-fluorophenoxy)ethylidene]-5-nitro-3H-1-benzofuran-3-yl]morpholine. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2Z)-2-[2-(4-fluorophenoxy)ethylidene]-5-nitro-3H-1-benzofuran-3-yl]morpholine. Following Lipinski's Rule of Five, 4-[(2Z)-2-[2-(4-fluorophenoxy)ethylidene]-5-nitro-3H-1-benzofuran-3-yl]morpholine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-[(2Z)-2-[2-(4-fluorophenoxy)ethylidene]-5-nitro-3H-1-benzofuran-3-yl]morpholine is 1164496-62-1.
The molecular formula of 4-[(2Z)-2-[2-(4-fluorophenoxy)ethylidene]-5-nitro-3H-1-benzofuran-3-yl]morpholine is C20H19FN2O5.
The molecular weight of 4-[(2Z)-2-[2-(4-fluorophenoxy)ethylidene]-5-nitro-3H-1-benzofuran-3-yl]morpholine is 386.1278 g/mol.
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