3-[6-(morpholin-4-yl)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 3-nitrobenzoate
Chemical Structure Depiction of
3-[6-(morpholin-4-yl)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 3-nitrobenzoate
3-[6-(morpholin-4-yl)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 1189-2515 |
| Compound Name: | 3-[6-(morpholin-4-yl)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl 3-nitrobenzoate |
| Molecular Weight: | 489.48 |
| Molecular Formula: | C26 H23 N3 O7 |
| Smiles: | C(CN1C(c2cccc3c(ccc(C1=O)c23)N1CCOCC1)=O)COC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2938 |
| logD: | 4.2938 |
| logSw: | -4.5996 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.322 |
| InChI Key: | VQZKOAXNNWXZCP-UHFFFAOYSA-N |