2-(3,5-dimethyl-1H-pyrazol-4-yl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-(3,5-dimethyl-1H-pyrazol-4-yl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-(3,5-dimethyl-1H-pyrazol-4-yl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8010-1371 |
| Compound Name: | 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 381.3 |
| Molecular Formula: | C17 H11 N5 O6 |
| Smiles: | Cc1c(c(C)[nH]n1)N1C(c2cc(cc3cc(cc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8419 |
| logD: | 1.8419 |
| logSw: | -2.7075 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.319 |
| InChI Key: | KNWGWPRRNZAIEM-UHFFFAOYSA-N |