2-(4-butylphenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-butylphenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-(4-butylphenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 0701-0023 |
| Compound Name: | 2-(4-butylphenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 374.39 |
| Molecular Formula: | C22 H18 N2 O4 |
| Smiles: | CCCCc1ccc(cc1)N1C(c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1236 |
| logD: | 5.1236 |
| logSw: | -5.4188 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.323 |
| InChI Key: | LBWJWUKIBLMWBP-UHFFFAOYSA-N |