TL;DR: Acetic acid,2-[4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]-,2-[1-(4-methylphenyl)ethylidene]hydrazide (CAS 139298-36-5) is a chemical compound with molecular formula C21H19N3O3S2 and molecular weight 425.0868 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-(4-methylphenyl)ethylideneamino]-2-[4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
Also Known As: Acetic acid,2-[4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]-,2-[1-(4-methylphenyl)ethylidene]hydrazide, Acetic acid, (4-((4-oxo-2-thioxo-5-thiazolidinylidene)methyl)phenoxy)-, (1-(4-methylphenyl)ethylidene)hydrazide
| Molecular Formula | C21H19N3O3S2 |
| Molecular Weight | 425.0868 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.0868 Da |
| Heavy Atoms | 29 |
| Complexity | 691.0 |
| SMILES | CC1=CC=C(C=C1)C(=NNC(=O)COC2=CC=C(C=C2)C=C3C(=O)NC(=S)S3)C |
| InChIKey | VZXNRBMIDYTLFN-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that Acetic acid,2-[4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]-,2-[1-(4-methylphenyl)ethylidene]hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid,2-[4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]-,2-[1-(4-methylphenyl)ethylidene]hydrazide. Following Lipinski's Rule of Five, Acetic acid,2-[4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]-,2-[1-(4-methylphenyl)ethylidene]hydrazide has 2 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 Acetic acid,2-[4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]-,2-[1-(4-methylphenyl)ethylidene]hydrazide is 139298-36-5.
The molecular formula of Acetic acid,2-[4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]-,2-[1-(4-methylphenyl)ethylidene]hydrazide is C21H19N3O3S2.
The molecular weight of Acetic acid,2-[4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]-,2-[1-(4-methylphenyl)ethylidene]hydrazide is 425.0868 g/mol.
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