TL;DR: Glycine, N-(2-benzoyl-4-nitrophenyl)-, 2-(phenylthioxomethyl)hydrazide (CAS 111044-25-8) is a chemical compound with molecular formula C22H18N4O4S and molecular weight 434.1049 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-(benzenecarbonothioyl)-2-(2-benzoyl-4-nitroanilino)acetohydrazide
Also Known As: Glycine, N-(2-benzoyl-4-nitrophenyl)-, 2-(phenylthioxomethyl)hydrazide, N-(2-Benzoyl-4-nitrophenyl)glycine 2-(phenylthioxomethyl)hydrazide, N'-(Benzenecarbothioyl)-2-(2-benzoyl-4-nitroanilino)acetohydrazide, N'-(benzenecarbonothioyl)-2-(2-benzoyl-4-nitroanilino)acetohydrazide
| Molecular Formula | C22H18N4O4S |
| Molecular Weight | 434.1049 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.1049 Da |
| Heavy Atoms | 31 |
| Complexity | 656.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC(=O)NNC(=S)C3=CC=CC=C3 |
| InChIKey | CNZWACIUZACQBQ-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that Glycine, N-(2-benzoyl-4-nitrophenyl)-, 2-(phenylthioxomethyl)hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting Glycine, N-(2-benzoyl-4-nitrophenyl)-, 2-(phenylthioxomethyl)hydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glycine, N-(2-benzoyl-4-nitrophenyl)-, 2-(phenylthioxomethyl)hydrazide has 3 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 Glycine, N-(2-benzoyl-4-nitrophenyl)-, 2-(phenylthioxomethyl)hydrazide is 111044-25-8.
The molecular formula of Glycine, N-(2-benzoyl-4-nitrophenyl)-, 2-(phenylthioxomethyl)hydrazide is C22H18N4O4S.
The molecular weight of Glycine, N-(2-benzoyl-4-nitrophenyl)-, 2-(phenylthioxomethyl)hydrazide is 434.1049 g/mol.
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