2-(5-benzoyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-(5-benzoyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-(5-benzoyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8012-1251 |
| Compound Name: | 2-(5-benzoyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C25 H18 N2 O3 S |
| Smiles: | CC1CCc2c(C#N)c(N3C(c4ccc(cc4C3=O)C(c3ccccc3)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5327 |
| logD: | 5.5327 |
| logSw: | -5.6076 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.393 |
| InChI Key: | RZOJSLFVGBQRGX-CQSZACIVSA-N |