2-(4-methylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-methylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)-1H-isoindole-1,3(2H)-dione
2-(4-methylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K906-0357 |
| Compound Name: | 2-(4-methylphenyl)-5-nitro-6-(4-phenylpiperazin-1-yl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C25 H22 N4 O4 |
| Smiles: | Cc1ccc(cc1)N1C(c2cc(c(cc2C1=O)N1CCN(CC1)c1ccccc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6992 |
| logD: | 4.6992 |
| logSw: | -4.516 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.372 |
| InChI Key: | PNLWWAYEUNHVHG-UHFFFAOYSA-N |