3-[6-(morpholin-4-yl)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
3-[6-(morpholin-4-yl)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 3,5-dinitrobenzoate
3-[6-(morpholin-4-yl)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 2332-1020 |
| Compound Name: | 3-[6-(morpholin-4-yl)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 3,5-dinitrobenzoate |
| Molecular Weight: | 534.48 |
| Molecular Formula: | C26 H22 N4 O9 |
| Smiles: | C(CN1C(c2cccc3c(ccc(C1=O)c23)N1CCOCC1)=O)COC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0833 |
| logD: | 4.0833 |
| logSw: | -4.4733 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 127.703 |
| InChI Key: | YHCCFYXJUABXJD-UHFFFAOYSA-N |