2-[6-(morpholin-4-yl)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 4-nitrobenzoate
Chemical Structure Depiction of
2-[6-(morpholin-4-yl)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 4-nitrobenzoate
2-[6-(morpholin-4-yl)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 2044-3116 |
| Compound Name: | 2-[6-(morpholin-4-yl)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]ethyl 4-nitrobenzoate |
| Molecular Weight: | 475.46 |
| Molecular Formula: | C25 H21 N3 O7 |
| Smiles: | C1COCCN1c1ccc2C(N(CCOC(c3ccc(cc3)[N+]([O-])=O)=O)C(c3cccc1c23)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0308 |
| logD: | 4.0308 |
| logSw: | -4.5971 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.322 |
| InChI Key: | ZYYDMOKOQLWLLK-UHFFFAOYSA-N |