2-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-4,5-dimethoxy-N-[(pyridin-3-yl)methyl]benzene-1-sulfonamide
Chemical Structure Depiction of
2-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-4,5-dimethoxy-N-[(pyridin-3-yl)methyl]benzene-1-sulfonamide
2-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-4,5-dimethoxy-N-[(pyridin-3-yl)methyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 4552-0026 |
| Compound Name: | 2-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-4,5-dimethoxy-N-[(pyridin-3-yl)methyl]benzene-1-sulfonamide |
| Molecular Weight: | 531.59 |
| Molecular Formula: | C28 H25 N3 O6 S |
| Smiles: | COc1cc(CCN2C(c3cccc4cccc(C2=O)c34)=O)c(cc1OC)S(NCc1cccnc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.066 |
| logD: | 3.0652 |
| logSw: | -3.6588 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.369 |
| InChI Key: | RZRNVYVOQXSYMW-UHFFFAOYSA-N |