2-[3,5-dimethyl-1-(4-nitrophenyl)-1H-pyrazol-4-yl]-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-[3,5-dimethyl-1-(4-nitrophenyl)-1H-pyrazol-4-yl]-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-[3,5-dimethyl-1-(4-nitrophenyl)-1H-pyrazol-4-yl]-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8010-1372 |
| Compound Name: | 2-[3,5-dimethyl-1-(4-nitrophenyl)-1H-pyrazol-4-yl]-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 502.4 |
| Molecular Formula: | C23 H14 N6 O8 |
| Smiles: | Cc1c(c(C)n(c2ccc(cc2)[N+]([O-])=O)n1)N1C(c2cc(cc3cc(cc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0332 |
| logD: | 3.0332 |
| logSw: | -3.7562 |
| Hydrogen bond acceptors count: | 17 |
| Polar surface area: | 142.203 |
| InChI Key: | HXIWTXOQYLDIPF-UHFFFAOYSA-N |