2-{4-[3-(hydroxymethyl)piperidin-1-yl]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[3-(hydroxymethyl)piperidin-1-yl]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione
2-{4-[3-(hydroxymethyl)piperidin-1-yl]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0044 |
| Compound Name: | 2-{4-[3-(hydroxymethyl)piperidin-1-yl]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 387.43 |
| Molecular Formula: | C20 H25 N3 O5 |
| Smiles: | C1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N1CCCC(C1)CO)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9804 |
| logD: | 1.9804 |
| logSw: | -2.6591 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.353 |
| InChI Key: | OFUBOUCMDLVCSQ-UHFFFAOYSA-N |