ethyl 4-[6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido]benzoate
Chemical Structure Depiction of
ethyl 4-[6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido]benzoate
ethyl 4-[6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido]benzoate
Compound characteristics
| Compound ID: | Y010-1487 |
| Compound Name: | ethyl 4-[6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido]benzoate |
| Molecular Weight: | 458.51 |
| Molecular Formula: | C27 H26 N2 O5 |
| Smiles: | CCOC(c1ccc(cc1)NC(CCCCCN1C(c2cccc3cccc(C1=O)c23)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7004 |
| logD: | 4.7002 |
| logSw: | -4.9026 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.735 |
| InChI Key: | VDKXLXBGSWQVRZ-UHFFFAOYSA-N |