2-{4-[2-(4-methoxyanilino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl]-4-oxobutyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[2-(4-methoxyanilino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl]-4-oxobutyl}-1H-isoindole-1,3(2H)-dione
2-{4-[2-(4-methoxyanilino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl]-4-oxobutyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8015-6452 |
| Compound Name: | 2-{4-[2-(4-methoxyanilino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl]-4-oxobutyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C27 H28 N2 O5 |
| Smiles: | CC1(C)CC(=C(C(CCCN2C(c3ccccc3C2=O)=O)=O)C(C1)=O)Nc1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6819 |
| logD: | 2.2276 |
| logSw: | -4.0528 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.422 |
| InChI Key: | OHXVKMNOKGFLKM-UHFFFAOYSA-N |