ethyl ({5-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({5-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({5-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 3325-0046 |
| Compound Name: | ethyl ({5-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 486.55 |
| Molecular Formula: | C26 H22 N4 O4 S |
| Smiles: | CCOC(CSc1nnc(CCN2C(c3cccc4cccc(C2=O)c34)=O)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7959 |
| logD: | 3.7959 |
| logSw: | -4.1512 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.984 |
| InChI Key: | FJMKDXVJSJFXDV-UHFFFAOYSA-N |