5-(3-methylpiperidin-1-yl)-6-nitro-2-phenyl-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-(3-methylpiperidin-1-yl)-6-nitro-2-phenyl-1H-isoindole-1,3(2H)-dione
5-(3-methylpiperidin-1-yl)-6-nitro-2-phenyl-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K906-0381 |
| Compound Name: | 5-(3-methylpiperidin-1-yl)-6-nitro-2-phenyl-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 365.39 |
| Molecular Formula: | C20 H19 N3 O4 |
| Smiles: | CC1CCCN(C1)c1cc2C(N(C(c2cc1[N+]([O-])=O)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6384 |
| logD: | 3.6384 |
| logSw: | -3.9389 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.045 |
| InChI Key: | IRYDABWQNYLSGI-ZDUSSCGKSA-N |