TL;DR: Thiourea, N-(3-chlorophenyl)-N'-(3-methoxy-4-(2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)- (CAS 105271-37-2) is a chemical compound with molecular formula C23H19ClN4O2S and molecular weight 450.09174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-chlorophenyl)-3-[3-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]thiourea
Also Known As: Thiourea, N-(3-chlorophenyl)-N'-(3-methoxy-4-(2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)-, N-(3-Chlorophenyl)-N'-(3-methoxy-4-(2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)thiourea, 1-(3-chlorophenyl)-3-[3-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]thiourea, N-(3-Chlorophenyl)-N'-[3-methoxy-4-(2-methyl-4-oxoquinazolin-3(4H)-yl)phenyl]thiourea
| Molecular Formula | C23H19ClN4O2S |
| Molecular Weight | 450.09174 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 98.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.09174 Da |
| Heavy Atoms | 31 |
| Complexity | 705.0 |
| SMILES | CC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)NC(=S)NC4=CC(=CC=C4)Cl)OC |
| InChIKey | SREHXQXANWRFCT-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that Thiourea, N-(3-chlorophenyl)-N'-(3-methoxy-4-(2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiourea, N-(3-chlorophenyl)-N'-(3-methoxy-4-(2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)-. Following Lipinski's Rule of Five, Thiourea, N-(3-chlorophenyl)-N'-(3-methoxy-4-(2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Thiourea, N-(3-chlorophenyl)-N'-(3-methoxy-4-(2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)- is 105271-37-2.
The molecular formula of Thiourea, N-(3-chlorophenyl)-N'-(3-methoxy-4-(2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)- is C23H19ClN4O2S.
The molecular weight of Thiourea, N-(3-chlorophenyl)-N'-(3-methoxy-4-(2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)- is 450.09174 g/mol.
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