N-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-N-(3-methoxyphenyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-N-(3-methoxyphenyl)-3-nitrobenzamide
N-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-N-(3-methoxyphenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | 0423-0447 |
| Compound Name: | N-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-N-(3-methoxyphenyl)-3-nitrobenzamide |
| Molecular Weight: | 509.52 |
| Molecular Formula: | C29 H23 N3 O6 |
| Smiles: | COc1cccc(c1)N(CCCN1C(c2cccc3cccc(C1=O)c23)=O)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0411 |
| logD: | 5.0411 |
| logSw: | -5.4368 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.358 |
| InChI Key: | JTBWORPFAMYJSZ-UHFFFAOYSA-N |