2-[2-(cyclohex-1-en-1-yl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Chemical Structure Depiction of
2-[2-(cyclohex-1-en-1-yl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
2-[2-(cyclohex-1-en-1-yl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Compound characteristics
| Compound ID: | R052-1664 |
| Compound Name: | 2-[2-(cyclohex-1-en-1-yl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid |
| Molecular Weight: | 299.32 |
| Molecular Formula: | C17 H17 N O4 |
| Smiles: | C1CCC(CCN2C(c3ccc(cc3C2=O)C(O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.3156 |
| logD: | -0.662 |
| logSw: | -3.4461 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.07 |
| InChI Key: | ZJWHYONKHNUCIU-UHFFFAOYSA-N |