3-{1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}-N-[(2-methoxyphenyl)methyl]propanamide
Chemical Structure Depiction of
3-{1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}-N-[(2-methoxyphenyl)methyl]propanamide
3-{1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}-N-[(2-methoxyphenyl)methyl]propanamide
Compound characteristics
| Compound ID: | C260-1217 |
| Compound Name: | 3-{1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}-N-[(2-methoxyphenyl)methyl]propanamide |
| Molecular Weight: | 583.41 |
| Molecular Formula: | C27 H24 Br F N4 O5 |
| Smiles: | COc1ccccc1CNC(CCN1C(c2ccccc2N(CC(Nc2ccc(cc2F)[Br])=O)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8195 |
| logD: | 3.8121 |
| logSw: | -3.9476 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.799 |
| InChI Key: | FGNCDTQOLFAOMJ-UHFFFAOYSA-N |