ethyl 2-(2-{3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 2-(2-{3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetamido)benzoate
ethyl 2-(2-{3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C260-1582 |
| Compound Name: | ethyl 2-(2-{3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetamido)benzoate |
| Molecular Weight: | 568.63 |
| Molecular Formula: | C32 H32 N4 O6 |
| Smiles: | CCOC(c1ccccc1NC(CN1C(N(CCCC(N2CCc3ccccc3C2)=O)C(c2ccccc12)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5957 |
| logD: | 3.5833 |
| logSw: | -3.6098 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.505 |
| InChI Key: | SXNUMMNKKVKBKE-UHFFFAOYSA-N |