ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate
Chemical Structure Depiction of
ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate
ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate
Compound characteristics
| Compound ID: | Y508-1711 |
| Compound Name: | ethyl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate |
| Molecular Weight: | 458.69 |
| Molecular Formula: | C21 H13 Br Cl N O4 |
| Smiles: | CCOC(c1cc(ccc1[Cl])N1C(c2cccc3c(ccc(C1=O)c23)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9565 |
| logD: | 4.9565 |
| logSw: | -5.0624 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.996 |
| InChI Key: | GPQDLKLACKHSHH-UHFFFAOYSA-N |