6-(4-bromo-2,3-dimethylanilino)-2-(2-hydroxyethyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
6-(4-bromo-2,3-dimethylanilino)-2-(2-hydroxyethyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
6-(4-bromo-2,3-dimethylanilino)-2-(2-hydroxyethyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 5386-1359 |
| Compound Name: | 6-(4-bromo-2,3-dimethylanilino)-2-(2-hydroxyethyl)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 484.3 |
| Molecular Formula: | C22 H18 Br N3 O5 |
| Smiles: | Cc1c(ccc(c1C)[Br])Nc1c(cc2C(N(CCO)C(c3cccc1c23)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1807 |
| logD: | 4.1807 |
| logSw: | -4.4564 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.659 |
| InChI Key: | PKYWODXYJGKWGJ-UHFFFAOYSA-N |