ethyl 1-[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)-2-nitrophenyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)-2-nitrophenyl]piperidine-4-carboxylate
ethyl 1-[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)-2-nitrophenyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | K807-0252 |
| Compound Name: | ethyl 1-[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)-2-nitrophenyl]piperidine-4-carboxylate |
| Molecular Weight: | 429.47 |
| Molecular Formula: | C22 H27 N3 O6 |
| Smiles: | CCOC(C1CCN(CC1)c1ccc(cc1[N+]([O-])=O)N1C(C2CCCCC2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7265 |
| logD: | 2.7265 |
| logSw: | -3.1126 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.058 |
| InChI Key: | MRSMMRLMXCMVOB-UHFFFAOYSA-N |