2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 4-nitrobenzoate
Chemical Structure Depiction of
2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 4-nitrobenzoate
2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 0812-1002 |
| Compound Name: | 2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 4-nitrobenzoate |
| Molecular Weight: | 385.29 |
| Molecular Formula: | C17 H11 N3 O8 |
| Smiles: | C(COC(c1ccc(cc1)[N+]([O-])=O)=O)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9706 |
| logD: | 2.9706 |
| logSw: | -3.436 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 117.281 |
| InChI Key: | OUYIIBZEOMSBEI-UHFFFAOYSA-N |