TL;DR: (E)-N'-(3-methoxybenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide (CAS 1620521-33-6) is a chemical compound with molecular formula C25H22N4O3S and molecular weight 458.14127 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Also Known As: (E)-N'-(3-methoxybenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide, N'-[(E)-(3-methoxyphenyl)methylidene]-2-{[3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide, N-[(1E)-2-(3-methoxyphenyl)-1-azavinyl]-2-[3-(2-methylphenyl)-4-oxo(3-hydroqui nazolin-2-ylthio)]acetamide, N-[(E)-(3-methoxyphenyl)methylideneamino]-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
| Molecular Formula | C25H22N4O3S |
| Molecular Weight | 458.14127 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.14127 Da |
| Heavy Atoms | 33 |
| Complexity | 758.0 |
| SMILES | CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N/N=C/C4=CC(=CC=C4)OC |
| InChIKey | TWRWBEOMFCPFJQ-CVKSISIWSA-N |
The XLogP value of 4.4 indicates that (E)-N'-(3-methoxybenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N'-(3-methoxybenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide. Following Lipinski's Rule of Five, (E)-N'-(3-methoxybenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide has 1 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 (E)-N'-(3-methoxybenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide is 1620521-33-6.
The molecular formula of (E)-N'-(3-methoxybenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide is C25H22N4O3S.
The molecular weight of (E)-N'-(3-methoxybenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide is 458.14127 g/mol.
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