2-[4-(ethoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid
Chemical Structure Depiction of
2-[4-(ethoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid
2-[4-(ethoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid
Compound characteristics
| Compound ID: | 3594-1002 |
| Compound Name: | 2-[4-(ethoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid |
| Molecular Weight: | 389.36 |
| Molecular Formula: | C22 H15 N O6 |
| Smiles: | CCOC(c1ccc(cc1)N1C(c2cccc3c(ccc(C1=O)c23)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6451 |
| logD: | 1.7144 |
| logSw: | -3.9418 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.404 |
| InChI Key: | HKWLTKVQSQHYHO-UHFFFAOYSA-N |