2-(4-hydroxy-2-methylphenyl)-5-nitro-6-(piperidin-1-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-hydroxy-2-methylphenyl)-5-nitro-6-(piperidin-1-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-(4-hydroxy-2-methylphenyl)-5-nitro-6-(piperidin-1-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 5386-1864 |
| Compound Name: | 2-(4-hydroxy-2-methylphenyl)-5-nitro-6-(piperidin-1-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C24 H21 N3 O5 |
| Smiles: | Cc1cc(ccc1N1C(c2cccc3c(c(cc(C1=O)c23)[N+]([O-])=O)N1CCCCC1)=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.2495 |
| logD: | 4.2487 |
| logSw: | -4.4843 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.49 |
| InChI Key: | VHXFYSBOEYFELE-UHFFFAOYSA-N |