N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}butanamide
Compound characteristics
| Compound ID: | C260-1109 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}butanamide |
| Molecular Weight: | 611.42 |
| Molecular Formula: | C28 H24 Br F N4 O6 |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(c2ccccc2N(CC(Nc2ccc(cc2F)[Br])=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2581 |
| logD: | 3.2506 |
| logSw: | -3.6431 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.284 |
| InChI Key: | CLZXCFREQUBIPS-UHFFFAOYSA-N |