N-(3-chloro-4-methoxyphenyl)-2-{3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-{3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetamide
N-(3-chloro-4-methoxyphenyl)-2-{3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetamide
Compound characteristics
| Compound ID: | C260-1143 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-{3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetamide |
| Molecular Weight: | 547.01 |
| Molecular Formula: | C29 H27 Cl N4 O5 |
| Smiles: | COc1ccc(cc1[Cl])NC(CN1C(N(CCC(N2CCc3ccccc3C2)=O)C(c2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8319 |
| logD: | 3.8317 |
| logSw: | -4.2324 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.079 |
| InChI Key: | SOZRXRMCISUPDC-UHFFFAOYSA-N |