TL;DR: (E)-N'-(2-bromobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide (CAS 1620521-25-6) is a chemical compound with molecular formula C24H19BrN4O2S and molecular weight 506.0412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-(2-bromophenyl)methylideneamino]-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Also Known As: (E)-N'-(2-bromobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide, N'-[(E)-(2-bromophenyl)methylidene]-2-{[3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide, N-[(1E)-2-(2-bromophenyl)-1-azavinyl]-2-[3-(2-methylphenyl)-4-oxo(3-hydroquina zolin-2-ylthio)]acetamide, N-[(2-bromophenyl)methylideneamino]-2-[3-(2-methylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide, N-[(E)-(2-bromophenyl)methylideneamino]-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
| Molecular Formula | C24H19BrN4O2S |
| Molecular Weight | 506.0412 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 99.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 506.0412 Da |
| Heavy Atoms | 32 |
| Complexity | 746.0 |
| SMILES | CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N/N=C/C4=CC=CC=C4Br |
| InChIKey | IXGAODKJFBTJRU-VULFUBBASA-N |
The XLogP value of 5.1 indicates that (E)-N'-(2-bromobenzylidene)-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 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N'-(2-bromobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide. Following Lipinski's Rule of Five, (E)-N'-(2-bromobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (E)-N'-(2-bromobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide is 1620521-25-6.
The molecular formula of (E)-N'-(2-bromobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide is C24H19BrN4O2S.
The molecular weight of (E)-N'-(2-bromobenzylidene)-2-((4-oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide is 506.0412 g/mol.
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