propan-2-yl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate
Chemical Structure Depiction of
propan-2-yl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate
propan-2-yl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate
Compound characteristics
| Compound ID: | Y508-1687 |
| Compound Name: | propan-2-yl 5-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2-chlorobenzoate |
| Molecular Weight: | 472.72 |
| Molecular Formula: | C22 H15 Br Cl N O4 |
| Smiles: | CC(C)OC(c1cc(ccc1[Cl])N1C(c2cccc3c(ccc(C1=O)c23)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1734 |
| logD: | 5.1734 |
| logSw: | -5.6098 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.675 |
| InChI Key: | WCTAMKFNUVCKDY-UHFFFAOYSA-N |