2-(4-ethoxyphenyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-ethoxyphenyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-(4-ethoxyphenyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8003-3844 |
| Compound Name: | 2-(4-ethoxyphenyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 407.34 |
| Molecular Formula: | C20 H13 N3 O7 |
| Smiles: | CCOc1ccc(cc1)N1C(c2cc(cc3cc(cc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1245 |
| logD: | 3.1245 |
| logSw: | -3.7322 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 102.129 |
| InChI Key: | ZQXCKYYQBGTWKI-UHFFFAOYSA-N |