2-{3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}-N-(2-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}-N-(2-ethoxyphenyl)acetamide
2-{3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}-N-(2-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C260-1486 |
| Compound Name: | 2-{3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}-N-(2-ethoxyphenyl)acetamide |
| Molecular Weight: | 540.62 |
| Molecular Formula: | C31 H32 N4 O5 |
| Smiles: | CCOc1ccccc1NC(CN1C(N(CCCC(N2CCc3ccccc3C2)=O)C(c2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5021 |
| logD: | 3.502 |
| logSw: | -3.6715 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.961 |
| InChI Key: | WWHRRSRGORQVHR-UHFFFAOYSA-N |