methyl 5-(5-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate
Chemical Structure Depiction of
methyl 5-(5-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate
methyl 5-(5-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate
Compound characteristics
| Compound ID: | Y500-0958 |
| Compound Name: | methyl 5-(5-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate |
| Molecular Weight: | 444.67 |
| Molecular Formula: | C20 H11 Br Cl N O4 |
| Smiles: | COC(c1cc(ccc1[Cl])N1C(c2cccc3cc(cc(C1=O)c23)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6317 |
| logD: | 4.6317 |
| logSw: | -5.1158 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.416 |
| InChI Key: | UZDCFTVVBISCPY-UHFFFAOYSA-N |