2-{4-[4,4-dimethyl-2-(4-nitroanilino)-6-oxocyclohex-1-en-1-yl]-4-oxobutyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[4,4-dimethyl-2-(4-nitroanilino)-6-oxocyclohex-1-en-1-yl]-4-oxobutyl}-1H-isoindole-1,3(2H)-dione
2-{4-[4,4-dimethyl-2-(4-nitroanilino)-6-oxocyclohex-1-en-1-yl]-4-oxobutyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8015-6453 |
| Compound Name: | 2-{4-[4,4-dimethyl-2-(4-nitroanilino)-6-oxocyclohex-1-en-1-yl]-4-oxobutyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 475.5 |
| Molecular Formula: | C26 H25 N3 O6 |
| Smiles: | CC1(C)CC(=C(C(CCCN2C(c3ccccc3C2=O)=O)=O)C(C1)=O)Nc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6251 |
| logD: | -0.4211 |
| logSw: | -3.9085 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.26 |
| InChI Key: | NPUHJTSFFXAZBV-UHFFFAOYSA-N |