methyl 2-(2-{3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetamido)benzoate
methyl 2-(2-{3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C260-2242 |
| Compound Name: | methyl 2-(2-{3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetamido)benzoate |
| Molecular Weight: | 540.58 |
| Molecular Formula: | C30 H28 N4 O6 |
| Smiles: | COC(c1ccccc1NC(CN1C(N(CCC(N2CCc3ccccc3C2)=O)C(c2ccccc12)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0459 |
| logD: | 3.0335 |
| logSw: | -3.4274 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.925 |
| InChI Key: | RZBFOCFPSZMDRS-UHFFFAOYSA-N |