TL;DR: (2S)-2-(4-oxoquinazolin-3(4H)-yl)-N-[4-(trifluoromethyl)phenyl]propanamide (CAS 1173679-47-4) is a chemical compound with molecular formula C18H14F3N3O2 and molecular weight 361.10382 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-(trifluoromethyl)phenyl]propanamide
Also Known As: (2S)-2-(4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]propanamide, (S)-2-(4-oxoquinazolin-3(4H)-yl)-N-(4-(trifluoromethyl)phenyl)propanamide, (2S)-2-(4-oxoquinazolin-3(4H)-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
| Molecular Formula | C18H14F3N3O2 |
| Molecular Weight | 361.10382 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.10382 Da |
| Heavy Atoms | 26 |
| Complexity | 571.0 |
| SMILES | C[C@@H](C(=O)NC1=CC=C(C=C1)C(F)(F)F)N2C=NC3=CC=CC=C3C2=O |
| InChIKey | YKOMHUUGWZIXCY-NSHDSACASA-N |
The XLogP value of 3.1 indicates that (2S)-2-(4-oxoquinazolin-3(4H)-yl)-N-[4-(trifluoromethyl)phenyl]propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(4-oxoquinazolin-3(4H)-yl)-N-[4-(trifluoromethyl)phenyl]propanamide. Following Lipinski's Rule of Five, (2S)-2-(4-oxoquinazolin-3(4H)-yl)-N-[4-(trifluoromethyl)phenyl]propanamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2S)-2-(4-oxoquinazolin-3(4H)-yl)-N-[4-(trifluoromethyl)phenyl]propanamide is 1173679-47-4.
The molecular formula of (2S)-2-(4-oxoquinazolin-3(4H)-yl)-N-[4-(trifluoromethyl)phenyl]propanamide is C18H14F3N3O2.
The molecular weight of (2S)-2-(4-oxoquinazolin-3(4H)-yl)-N-[4-(trifluoromethyl)phenyl]propanamide is 361.10382 g/mol.
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