TL;DR: (S)-2-(2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)propanamido)benzamide (CAS 1173673-86-3) is a chemical compound with molecular formula C18H16N4O4 and molecular weight 352.11716 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanoyl]amino]benzamide
Also Known As: (S)-2-(2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)propanamido)benzamide, 2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanoyl]amino]benzamide, 2-{[(2S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)propanoyl]amino}benzamide
| Molecular Formula | C18H16N4O4 |
| Molecular Weight | 352.11716 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.11716 Da |
| Heavy Atoms | 26 |
| Complexity | 608.0 |
| SMILES | C[C@@H](C(=O)NC1=CC=CC=C1C(=O)N)N2C(=O)C3=CC=CC=C3NC2=O |
| InChIKey | LFDMFBXJJCLBJT-JTQLQIEISA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)propanamido)benzamide. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)propanamido)benzamide. Following Lipinski's Rule of Five, (S)-2-(2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)propanamido)benzamide has 3 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 (S)-2-(2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)propanamido)benzamide is 1173673-86-3.
The molecular formula of (S)-2-(2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)propanamido)benzamide is C18H16N4O4.
The molecular weight of (S)-2-(2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)propanamido)benzamide is 352.11716 g/mol.
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