N-(2-chloro-4-methylphenyl)-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-(2-chloro-4-methylphenyl)-2-{3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetamide
N-(2-chloro-4-methylphenyl)-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: | C260-1602 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-2-{3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetamide |
| Molecular Weight: | 531.01 |
| Molecular Formula: | C29 H27 Cl N4 O4 |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(CN1C(N(CCC(N2CCc3ccccc3C2)=O)C(c2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0451 |
| logD: | 4.045 |
| logSw: | -4.2926 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.751 |
| InChI Key: | AYUPBDNFLMNSNP-UHFFFAOYSA-N |