heptyl 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Chemical Structure Depiction of
heptyl 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
heptyl 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 8006-3427 |
| Compound Name: | heptyl 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C22 H22 N2 O6 |
| Smiles: | CCCCCCCOC(c1ccc(cc1)N1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.754 |
| logD: | 4.754 |
| logSw: | -4.8561 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.008 |
| InChI Key: | ZVWSITYHKBCOFK-UHFFFAOYSA-N |