N-[2-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(3-methylphenyl)-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-[2-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(3-methylphenyl)-3,5-dinitrobenzamide
N-[2-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(3-methylphenyl)-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 0547-0180 |
| Compound Name: | N-[2-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(3-methylphenyl)-3,5-dinitrobenzamide |
| Molecular Weight: | 603.39 |
| Molecular Formula: | C28 H19 Br N4 O7 |
| Smiles: | Cc1cccc(c1)N(CCN1C(c2cccc3c(ccc(C1=O)c23)[Br])=O)C(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0333 |
| logD: | 6.0333 |
| logSw: | -6.0335 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 111.196 |
| InChI Key: | QYGLDROEHWOJIV-UHFFFAOYSA-N |