TL;DR: Acetic acid,2-[4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]-,2-[(4-methoxyphenyl)methylene]hydrazide (CAS 139298-31-0) is a chemical compound with molecular formula C20H17N3O4S2 and molecular weight 427.06604 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4-methoxyphenyl)methylideneamino]-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-[(4-methoxyphenyl)methylene]hydrazide, Acetic acid, (4-((4-oxo-2-thioxo-5-thiazolidinylidene)methyl)phenoxy)-, ((4-methoxyphenyl)methylene)hydrazide
| Molecular Formula | C20H17N3O4S2 |
| Molecular Weight | 427.06604 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.06604 Da |
| Heavy Atoms | 29 |
| Complexity | 667.0 |
| SMILES | COC1=CC=C(C=C1)C=NNC(=O)COC2=CC=C(C=C2)C=C3C(=O)NC(=S)S3 |
| InChIKey | AQTQWCIMESMCGD-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that Acetic acid,2-[4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]-,2-[(4-methoxyphenyl)methylene]hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting Acetic acid,2-[4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]-,2-[(4-methoxyphenyl)methylene]hydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetic acid,2-[4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]-,2-[(4-methoxyphenyl)methylene]hydrazide has 2 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 Acetic acid,2-[4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]-,2-[(4-methoxyphenyl)methylene]hydrazide is 139298-31-0.
The molecular formula of Acetic acid,2-[4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]-,2-[(4-methoxyphenyl)methylene]hydrazide is C20H17N3O4S2.
The molecular weight of Acetic acid,2-[4-[(4-oxo-2-thioxo-5-thiazolidinylidene)methyl]phenoxy]-,2-[(4-methoxyphenyl)methylene]hydrazide is 427.06604 g/mol.
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