N-[2-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-4-methyl-N-(2-methylphenyl)benzamide
Chemical Structure Depiction of
N-[2-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-4-methyl-N-(2-methylphenyl)benzamide
N-[2-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-4-methyl-N-(2-methylphenyl)benzamide
Compound characteristics
| Compound ID: | 0548-0350 |
| Compound Name: | N-[2-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-4-methyl-N-(2-methylphenyl)benzamide |
| Molecular Weight: | 527.42 |
| Molecular Formula: | C29 H23 Br N2 O3 |
| Smiles: | Cc1ccc(cc1)C(N(CCN1C(c2cccc3c(ccc(C1=O)c23)[Br])=O)c1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5479 |
| logD: | 6.5479 |
| logSw: | -6.1129 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.132 |
| InChI Key: | JTIPQSKHUJBUAL-UHFFFAOYSA-N |