methyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate
Chemical Structure Depiction of
methyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate
methyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate
Compound characteristics
| Compound ID: | 0831-1079 |
| Compound Name: | methyl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate |
| Molecular Weight: | 297.31 |
| Molecular Formula: | C17 H15 N O4 |
| Smiles: | COC(CCCN1C(c2cccc3cccc(C1=O)c23)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1321 |
| logD: | 2.1321 |
| logSw: | -2.8946 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.683 |
| InChI Key: | XKENFSHBVDYOBT-UHFFFAOYSA-N |