TL;DR: N-(3-ethylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide (CAS 1004742-76-0) is a chemical compound with molecular formula C20H17N3O3 and molecular weight 347.12698 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-ethylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
Also Known As: F3398-1299, N-(3-ethylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide, 2-{4-[(1-pyridin-4-ylpiperidin-4-yl)carbonyl]piperazin-1-yl}pyrimidine, N-(3-ethylphenyl)-2-(4-oxobenzofuro[3,2-d]pyrimidin-3(4H)-yl)acetamide, N-(3-ethylphenyl)-2-{6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-5-yl}acetamide
| Molecular Formula | C20H17N3O3 |
| Molecular Weight | 347.12698 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.12698 Da |
| Heavy Atoms | 26 |
| Complexity | 579.0 |
| SMILES | CCC1=CC(=CC=C1)NC(=O)CN2C=NC3=C(C2=O)OC4=CC=CC=C43 |
| InChIKey | QGFRJLLIELBMAS-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that N-(3-ethylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-ethylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide. Following Lipinski's Rule of Five, N-(3-ethylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide has 1 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 N-(3-ethylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is 1004742-76-0.
The molecular formula of N-(3-ethylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is C20H17N3O3.
The molecular weight of N-(3-ethylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is 347.12698 g/mol.
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