2-{4-[4,4-dimethyl-2-(2-methylanilino)-6-oxocyclohex-1-en-1-yl]-4-oxobutyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[4,4-dimethyl-2-(2-methylanilino)-6-oxocyclohex-1-en-1-yl]-4-oxobutyl}-1H-isoindole-1,3(2H)-dione
2-{4-[4,4-dimethyl-2-(2-methylanilino)-6-oxocyclohex-1-en-1-yl]-4-oxobutyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8015-6447 |
| Compound Name: | 2-{4-[4,4-dimethyl-2-(2-methylanilino)-6-oxocyclohex-1-en-1-yl]-4-oxobutyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C27 H28 N2 O4 |
| Smiles: | Cc1ccccc1NC1CC(C)(C)CC(C=1C(CCCN1C(c2ccccc2C1=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7544 |
| logD: | 2.3823 |
| logSw: | -3.9557 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.18 |
| InChI Key: | NJBKJBUGUMHAQK-UHFFFAOYSA-N |