1-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-2-nitrophenyl]-N,N-diethylpiperidine-3-carboxamide
Chemical Structure Depiction of
1-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-2-nitrophenyl]-N,N-diethylpiperidine-3-carboxamide
1-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-2-nitrophenyl]-N,N-diethylpiperidine-3-carboxamide
Compound characteristics
| Compound ID: | K807-0438 |
| Compound Name: | 1-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-2-nitrophenyl]-N,N-diethylpiperidine-3-carboxamide |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C24 H30 N4 O5 |
| Smiles: | CCN(CC)C(C1CCCN(C1)c1ccc(cc1[N+]([O-])=O)N1C(C2CC=CCC2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4819 |
| logD: | 2.4819 |
| logSw: | -2.9395 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.17 |
| InChI Key: | XVEUGMHPKXZMCM-UHFFFAOYSA-N |