TL;DR: (E)-N'-((E)-3-(5-nitrofuran-2-yl)allylidene)-2-(quinolin-2-ylthio)acetohydrazide (CAS 108098-60-8) is a chemical compound with molecular formula C18H14N4O4S and molecular weight 382.07358 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]-2-quinolin-2-ylsulfanylacetamide
Also Known As: (E)-N'-((E)-3-(5-nitrofuran-2-yl)allylidene)-2-(quinolin-2-ylthio)acetohydrazide, N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]-2-quinolin-2-ylsulfanylacetamide, N'-[(1E,2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]-2-(quinolin-2-ylsulfanyl)acetohydrazide
| Molecular Formula | C18H14N4O4S |
| Molecular Weight | 382.07358 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.07358 Da |
| Heavy Atoms | 27 |
| Complexity | 580.0 |
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)SCC(=O)N/N=C/C=C/C3=CC=C(O3)[N+](=O)[O-] |
| InChIKey | ZVYITBUGMPXPHK-GRKKMJAJSA-N |
The XLogP value of 3.7 indicates that (E)-N'-((E)-3-(5-nitrofuran-2-yl)allylidene)-2-(quinolin-2-ylthio)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N'-((E)-3-(5-nitrofuran-2-yl)allylidene)-2-(quinolin-2-ylthio)acetohydrazide. Following Lipinski's Rule of Five, (E)-N'-((E)-3-(5-nitrofuran-2-yl)allylidene)-2-(quinolin-2-ylthio)acetohydrazide has 1 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 (E)-N'-((E)-3-(5-nitrofuran-2-yl)allylidene)-2-(quinolin-2-ylthio)acetohydrazide is 108098-60-8.
The molecular formula of (E)-N'-((E)-3-(5-nitrofuran-2-yl)allylidene)-2-(quinolin-2-ylthio)acetohydrazide is C18H14N4O4S.
The molecular weight of (E)-N'-((E)-3-(5-nitrofuran-2-yl)allylidene)-2-(quinolin-2-ylthio)acetohydrazide is 382.07358 g/mol.
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