4-({1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
Chemical Structure Depiction of
4-({1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
4-({1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
Compound characteristics
| Compound ID: | C260-2341 |
| Compound Name: | 4-({1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide |
| Molecular Weight: | 645.09 |
| Molecular Formula: | C34 H30 Cl F N4 O6 |
| Smiles: | COc1ccc(CCNC(c2ccc(CN3C(c4ccccc4N(CC(Nc4ccc(c(c4)[Cl])F)=O)C3=O)=O)cc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.3977 |
| logD: | 4.3904 |
| logSw: | -4.6204 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.932 |
| InChI Key: | BXKGYLXGGKGBFD-UHFFFAOYSA-N |