2-[1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl pentachlorobenzoate
Chemical Structure Depiction of
2-[1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl pentachlorobenzoate
2-[1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl pentachlorobenzoate
Compound characteristics
| Compound ID: | 1186-0460 |
| Compound Name: | 2-[1,3-dioxo-6-(piperidin-1-yl)-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl pentachlorobenzoate |
| Molecular Weight: | 600.71 |
| Molecular Formula: | C26 H19 Cl5 N2 O4 |
| Smiles: | C1CCN(CC1)c1ccc2C(N(CCOC(c3c(c(c(c(c3[Cl])[Cl])[Cl])[Cl])[Cl])=O)C(c3cccc1c23)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.4829 |
| logD: | 7.4829 |
| logSw: | -7.5659 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.032 |
| InChI Key: | NJQUHFPKONZONE-UHFFFAOYSA-N |