TL;DR: (Z)-N'-(4-nitrobenzylidene)-2-((4-oxo-3-(p-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide (CAS 105491-26-7) is a chemical compound with molecular formula C24H19N5O4S and molecular weight 473.11578 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Also Known As: (Z)-N'-(4-nitrobenzylidene)-2-((4-oxo-3-(p-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide, 2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide, 2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(Z)-(4-nitrophenyl)methylidene]acetohydrazide, N-[(1Z)-2-(4-nitrophenyl)-1-azavinyl]-2-[3-(4-methylphenyl)-4-oxo(3-hydroquina zolin-2-ylthio)]acetamide
| Molecular Formula | C24H19N5O4S |
| Molecular Weight | 473.11578 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.11578 Da |
| Heavy Atoms | 34 |
| Complexity | 813.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N/N=C\C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | XOOLRGKAORNKJI-QFEZKATASA-N |
The XLogP value of 4.5 indicates that (Z)-N'-(4-nitrobenzylidene)-2-((4-oxo-3-(p-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting (Z)-N'-(4-nitrobenzylidene)-2-((4-oxo-3-(p-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-N'-(4-nitrobenzylidene)-2-((4-oxo-3-(p-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide has 1 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 (Z)-N'-(4-nitrobenzylidene)-2-((4-oxo-3-(p-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide is 105491-26-7.
The molecular formula of (Z)-N'-(4-nitrobenzylidene)-2-((4-oxo-3-(p-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide is C24H19N5O4S.
The molecular weight of (Z)-N'-(4-nitrobenzylidene)-2-((4-oxo-3-(p-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide is 473.11578 g/mol.
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