2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methoxyphenyl]-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methoxyphenyl]-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methoxyphenyl]-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 5386-1586 |
| Compound Name: | 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methoxyphenyl]-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 442.43 |
| Molecular Formula: | C24 H18 N4 O5 |
| Smiles: | Cc1cc(C)n(c2ccc(cc2OC)N2C(c3cccc4c(ccc(C2=O)c34)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.375 |
| logD: | 3.375 |
| logSw: | -4.028 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.524 |
| InChI Key: | MCVNHMVWYYNWEF-UHFFFAOYSA-N |