2-(3,4-dimethylphenyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-(3,4-dimethylphenyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
Compound ID: | 8003-3829 |
Compound Name: | 2-(3,4-dimethylphenyl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
Molecular Weight: | 391.34 |
Molecular Formula: | C20 H13 N3 O6 |
Smiles: | Cc1ccc(cc1C)N1C(c2cc(cc3cc(cc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 3.888 |
logD: | 3.888 |
logSw: | -4.163 |
Hydrogen bond acceptors count: | 12 |
Polar surface area: | 95.005 |
InChI Key: | JBJPREBCVWAPHK-UHFFFAOYSA-N |