3-methylbutyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Chemical Structure Depiction of
3-methylbutyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
3-methylbutyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 0627-0168 |
| Compound Name: | 3-methylbutyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate |
| Molecular Weight: | 337.37 |
| Molecular Formula: | C20 H19 N O4 |
| Smiles: | CC(C)CCOC(c1ccc(cc1)N1C(c2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5279 |
| logD: | 4.5279 |
| logSw: | -4.1905 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.928 |
| InChI Key: | PDJWUXFABWKFJF-UHFFFAOYSA-N |