2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl adamantane-1-carboxylate
Chemical Structure Depiction of
2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl adamantane-1-carboxylate
2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | 3291-1863 |
| Compound Name: | 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl adamantane-1-carboxylate |
| Molecular Weight: | 398.41 |
| Molecular Formula: | C21 H22 N2 O6 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)C(=O)OCCN1C(c2cccc(c2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2976 |
| logD: | 3.2976 |
| logSw: | -3.8174 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.632 |
| InChI Key: | VIYXECFWPITYKN-UHFFFAOYSA-N |