N-(5-chloro-2-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-(5-chloro-2-methoxyphenyl)-2-{3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetamide
N-(5-chloro-2-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: | C260-1598 |
| Compound Name: | N-(5-chloro-2-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(cc1NC(CN1C(N(CCC(N2CCc3ccccc3C2)=O)C(c2ccccc12)=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5742 |
| logD: | 3.5709 |
| logSw: | -3.9541 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.382 |
| InChI Key: | KTSQTTVHPMUEFK-UHFFFAOYSA-N |