5-[(2H-1,3-benzodioxol-5-yl)amino]-2-(4-methylphenyl)-6-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-[(2H-1,3-benzodioxol-5-yl)amino]-2-(4-methylphenyl)-6-nitro-1H-isoindole-1,3(2H)-dione
5-[(2H-1,3-benzodioxol-5-yl)amino]-2-(4-methylphenyl)-6-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K906-0374 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)amino]-2-(4-methylphenyl)-6-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 417.38 |
| Molecular Formula: | C22 H15 N3 O6 |
| Smiles: | Cc1ccc(cc1)N1C(c2cc(c(cc2C1=O)[N+]([O-])=O)Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1863 |
| logD: | 5.1863 |
| logSw: | -5.0607 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.29 |
| InChI Key: | CRHLKQDQNSEIRR-UHFFFAOYSA-N |