TL;DR: Acetamide, ((7-chloro-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)- (CAS 118462-82-1) is a chemical compound with molecular formula C16H11ClFN3O2S and molecular weight 363.02444 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[7-chloro-3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Also Known As: Acetamide, ((7-chloro-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-, ((7-Chloro-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamide, Acetamide, 2-((7-chloro-3-(3-fluorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)thio)-, 2-[7-chloro-3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide, 2-{[7-Chloro-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
| Molecular Formula | C16H11ClFN3O2S |
| Molecular Weight | 363.02444 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.02444 Da |
| Heavy Atoms | 24 |
| Complexity | 547.0 |
| SMILES | C1=CC(=CC(=C1)F)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N |
| InChIKey | ADJPBTCRXHPUST-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that Acetamide, ((7-chloro-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, ((7-chloro-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-. Following Lipinski's Rule of Five, Acetamide, ((7-chloro-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetamide, ((7-chloro-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)- is 118462-82-1.
The molecular formula of Acetamide, ((7-chloro-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)- is C16H11ClFN3O2S.
The molecular weight of Acetamide, ((7-chloro-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)- is 363.02444 g/mol.
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