1-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-2-nitrophenyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-2-nitrophenyl]piperidine-4-carboxamide
1-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-2-nitrophenyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | K807-0471 |
| Compound Name: | 1-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-2-nitrophenyl]piperidine-4-carboxamide |
| Molecular Weight: | 398.42 |
| Molecular Formula: | C20 H22 N4 O5 |
| Smiles: | C1CN(CCC1C(N)=O)c1ccc(cc1[N+]([O-])=O)N1C(C2CC=CCC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2837 |
| logD: | 1.2837 |
| logSw: | -2.4974 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.363 |
| InChI Key: | IZDHMZOXCWGXBG-UHFFFAOYSA-N |