TL;DR: (2S)-N-[4-(benzyloxy)phenyl]-2-(4-oxoquinazolin-3(4H)-yl)propanamide (CAS 1173680-21-1) is a chemical compound with molecular formula C24H21N3O3 and molecular weight 399.1583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-(4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide
Also Known As: (2S)-2-(4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide, (2S)-N-[4-(benzyloxy)phenyl]-2-(4-oxoquinazolin-3(4H)-yl)propanamide, (S)-N-(4-(benzyloxy)phenyl)-2-(4-oxoquinazolin-3(4H)-yl)propanamide
| Molecular Formula | C24H21N3O3 |
| Molecular Weight | 399.1583 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.1583 Da |
| Heavy Atoms | 30 |
| Complexity | 623.0 |
| SMILES | C[C@@H](C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)N3C=NC4=CC=CC=C4C3=O |
| InChIKey | JLTWAPJDHZYBNH-KRWDZBQOSA-N |
The XLogP value of 3.7 indicates that (2S)-N-[4-(benzyloxy)phenyl]-2-(4-oxoquinazolin-3(4H)-yl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-N-[4-(benzyloxy)phenyl]-2-(4-oxoquinazolin-3(4H)-yl)propanamide. Following Lipinski's Rule of Five, (2S)-N-[4-(benzyloxy)phenyl]-2-(4-oxoquinazolin-3(4H)-yl)propanamide 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 (2S)-N-[4-(benzyloxy)phenyl]-2-(4-oxoquinazolin-3(4H)-yl)propanamide is 1173680-21-1.
The molecular formula of (2S)-N-[4-(benzyloxy)phenyl]-2-(4-oxoquinazolin-3(4H)-yl)propanamide is C24H21N3O3.
The molecular weight of (2S)-N-[4-(benzyloxy)phenyl]-2-(4-oxoquinazolin-3(4H)-yl)propanamide is 399.1583 g/mol.
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