4-[2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,4-dihydroquinazolin-3(2H)-yl]-N-[(4-methylphenyl)methyl]butanamide
Chemical Structure Depiction of
4-[2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,4-dihydroquinazolin-3(2H)-yl]-N-[(4-methylphenyl)methyl]butanamide
4-[2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,4-dihydroquinazolin-3(2H)-yl]-N-[(4-methylphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | C260-2694 |
| Compound Name: | 4-[2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,4-dihydroquinazolin-3(2H)-yl]-N-[(4-methylphenyl)methyl]butanamide |
| Molecular Weight: | 552.55 |
| Molecular Formula: | C29 H27 F3 N4 O4 |
| Smiles: | Cc1ccc(CNC(CCCN2C(c3ccccc3N(CC(Nc3cccc(c3)C(F)(F)F)=O)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1311 |
| logD: | 4.1307 |
| logSw: | -4.2706 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.866 |
| InChI Key: | HFZXSOBKOAZBCD-UHFFFAOYSA-N |