TL;DR: 3-chloro-N'-[(5-nitro-2-furyl)methylene]-1-benzo[b]thiophene-2-carbohydrazide (CAS 144605-04-9) is a chemical compound with molecular formula C14H8ClN3O4S and molecular weight 348.9924 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N'-[(5-nitro-2-furyl)methylene]-1-benzo[b]thiophene-2-carbohydrazide, 3-chloro-N'-[(E)-(5-nitrofuran-2-yl)methylidene]-1-benzothiophene-2-carbohydrazide, 3-Chloro-benzo[b]thiophene-2-carboxylic acid [1-(5-nitro-furan-2-yl)-meth-(E)-ylidene]-hydrazide, 3-chloro-N-[(5-nitro-2-furyl)methyleneamino]benzothiophene-2-carboxamide, 3-Chloro-N2-[(5-nitro-2-furyl)methylene]-1-benzothiophene-2-carbohydrazide
| Molecular Formula | C14H8ClN3O4S |
| Molecular Weight | 348.9924 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.9924 Da |
| Heavy Atoms | 23 |
| Complexity | 501.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)N/N=C/C3=CC=C(O3)[N+](=O)[O-])Cl |
| InChIKey | HBEJBLJIPRNDCH-FRKPEAEDSA-N |
The XLogP value of 4.4 indicates that 3-chloro-N'-[(5-nitro-2-furyl)methylene]-1-benzo[b]thiophene-2-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N'-[(5-nitro-2-furyl)methylene]-1-benzo[b]thiophene-2-carbohydrazide. Following Lipinski's Rule of Five, 3-chloro-N'-[(5-nitro-2-furyl)methylene]-1-benzo[b]thiophene-2-carbohydrazide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-chloro-N'-[(5-nitro-2-furyl)methylene]-1-benzo[b]thiophene-2-carbohydrazide is 144605-04-9.
The molecular formula of 3-chloro-N'-[(5-nitro-2-furyl)methylene]-1-benzo[b]thiophene-2-carbohydrazide is C14H8ClN3O4S.
The molecular weight of 3-chloro-N'-[(5-nitro-2-furyl)methylene]-1-benzo[b]thiophene-2-carbohydrazide is 348.9924 g/mol.
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