3-{1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]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-(3,4-dimethoxyphenyl)ethyl]propanamide
3-{1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Compound characteristics
| Compound ID: | C260-1295 |
| Compound Name: | 3-{1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide |
| Molecular Weight: | 627.47 |
| Molecular Formula: | C29 H28 Br F N4 O6 |
| Smiles: | COc1ccc(CCNC(CCN2C(c3ccccc3N(CC(Nc3ccc(cc3F)[Br])=O)C2=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.89 |
| logD: | 2.8825 |
| logSw: | -3.5331 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.271 |
| InChI Key: | RRNMDLLKXMEWLI-UHFFFAOYSA-N |