TL;DR: 2-chloro-N'-{4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}benzohydrazide (CAS 1164538-68-4) is a chemical compound with molecular formula C21H17Cl2N3O3S2 and molecular weight 493.00885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N'-[4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]benzohydrazide
Also Known As: 2-chloro-N'-{4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}benzohydrazide, (Z)-2-chloro-N'-(4-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoyl)benzohydrazide, 2-Chloro-benzoic acid N'-(4-{5-[1-(2-chloro-phenyl)-meth-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-butyryl)-hydrazide, 2-chloro-N'-[4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]benzohydrazide, N-[(2-chlorophenyl)carbonylamino]-4-{5-[(2-chlorophenyl)methylene]-4-oxo-2-thi oxo(1,3-thiazolidin-3-yl)}butanamide
| Molecular Formula | C21H17Cl2N3O3S2 |
| Molecular Weight | 493.00885 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.00885 Da |
| Heavy Atoms | 31 |
| Complexity | 749.0 |
| SMILES | C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NNC(=O)C3=CC=CC=C3Cl)Cl |
| InChIKey | FUJADAGZNZJBJZ-ATVHPVEESA-N |
The XLogP value of 5.0 indicates that 2-chloro-N'-{4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}benzohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N'-{4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}benzohydrazide. Following Lipinski's Rule of Five, 2-chloro-N'-{4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}benzohydrazide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-chloro-N'-{4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}benzohydrazide is 1164538-68-4.
The molecular formula of 2-chloro-N'-{4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}benzohydrazide is C21H17Cl2N3O3S2.
The molecular weight of 2-chloro-N'-{4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}benzohydrazide is 493.00885 g/mol.
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