2-{4-[3-(hydroxymethyl)piperidin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{4-[3-(hydroxymethyl)piperidin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-{4-[3-(hydroxymethyl)piperidin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-1037 |
| Compound Name: | 2-{4-[3-(hydroxymethyl)piperidin-1-yl]-3-nitrophenyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 397.43 |
| Molecular Formula: | C21 H23 N3 O5 |
| Smiles: | C1CC(CN(C1)c1ccc(cc1[N+]([O-])=O)N1C(C2C3CC(C=C3)C2C1=O)=O)CO |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6185 |
| logD: | 1.6185 |
| logSw: | -2.141 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.005 |
| InChI Key: | CAIOFDJLVJGPHC-UHFFFAOYSA-N |