ethyl 3-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-5-nitro-1H-indole-2-carboxylate
Chemical Structure Depiction of
ethyl 3-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-5-nitro-1H-indole-2-carboxylate
ethyl 3-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-5-nitro-1H-indole-2-carboxylate
Compound characteristics
| Compound ID: | 0068-0029 |
| Compound Name: | ethyl 3-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-5-nitro-1H-indole-2-carboxylate |
| Molecular Weight: | 407.38 |
| Molecular Formula: | C21 H17 N3 O6 |
| Smiles: | CCOC(c1c(CCN2C(c3ccccc3C2=O)=O)c2cc(ccc2[nH]1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2247 |
| logD: | 3.2247 |
| logSw: | -3.5945 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.725 |
| InChI Key: | VFHDPCNWQXZWQU-UHFFFAOYSA-N |