N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | C260-1185 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[2,4-dioxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide |
| Molecular Weight: | 630.58 |
| Molecular Formula: | C33 H25 F3 N4 O6 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(CN2C(c3ccccc3N(CC(Nc3cccc(c3)C(F)(F)F)=O)C2=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1733 |
| logD: | 5.1729 |
| logSw: | -5.3991 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.945 |
| InChI Key: | ARLQDEWFZFBEMZ-UHFFFAOYSA-N |