5-(3,5-dimethylpiperidin-1-yl)-6-nitro-2-phenyl-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-(3,5-dimethylpiperidin-1-yl)-6-nitro-2-phenyl-1H-isoindole-1,3(2H)-dione
5-(3,5-dimethylpiperidin-1-yl)-6-nitro-2-phenyl-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K906-0410 |
| Compound Name: | 5-(3,5-dimethylpiperidin-1-yl)-6-nitro-2-phenyl-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C21 H21 N3 O4 |
| Smiles: | CC1CC(C)CN(C1)c1cc2C(N(C(c2cc1[N+]([O-])=O)=O)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1714 |
| logD: | 4.1714 |
| logSw: | -4.3422 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.979 |
| InChI Key: | SSBKZXSCZRDXJG-UHFFFAOYSA-N |