prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate
Chemical Structure Depiction of
prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate
prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate
Compound characteristics
| Compound ID: | 1000-0779 |
| Compound Name: | prop-2-yn-1-yl 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoate |
| Molecular Weight: | 321.33 |
| Molecular Formula: | C19 H15 N O4 |
| Smiles: | C#CCOC(CCCN1C(c2cccc3cccc(C1=O)c23)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5232 |
| logD: | 2.5232 |
| logSw: | -3.0321 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.557 |
| InChI Key: | QTOXJJMRQGIBPL-UHFFFAOYSA-N |