TL;DR: G857-0040 (CAS 946372-15-2) is a chemical compound with molecular formula C18H21N3O3S and molecular weight 359.13037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(3-methoxyphenyl)methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
Also Known As: G857-0040, F2684-0019, N-[(3-methoxyphenyl)methyl]-2-[(2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)sulfanyl]acetamide, N-(3-methoxybenzyl)-2-((2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)thio)acetamide, N-[(3-methoxyphenyl)methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
| Molecular Formula | C18H21N3O3S |
| Molecular Weight | 359.13037 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.13037 Da |
| Heavy Atoms | 25 |
| Complexity | 588.0 |
| SMILES | COC1=CC=CC(=C1)CNC(=O)CSC2=NC(=O)NC3=C2CCCC3 |
| InChIKey | VQKILXZHAUKVHG-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for G857-0040. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for G857-0040. Following Lipinski's Rule of Five, G857-0040 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 G857-0040 is 946372-15-2.
The molecular formula of G857-0040 is C18H21N3O3S.
The molecular weight of G857-0040 is 359.13037 g/mol.
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