ethyl 4-[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)-2-nitrophenyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)-2-nitrophenyl]piperazine-1-carboxylate
ethyl 4-[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)-2-nitrophenyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K807-0136 |
| Compound Name: | ethyl 4-[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)-2-nitrophenyl]piperazine-1-carboxylate |
| Molecular Weight: | 430.46 |
| Molecular Formula: | C21 H26 N4 O6 |
| Smiles: | CCOC(N1CCN(CC1)c1ccc(cc1[N+]([O-])=O)N1C(C2CCCCC2C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3517 |
| logD: | 2.3517 |
| logSw: | -2.8649 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.084 |
| InChI Key: | FGUKYGLFWNDFEI-UHFFFAOYSA-N |