5-(4-benzylpiperidin-1-yl)-2-(4-methylphenyl)-6-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-(4-benzylpiperidin-1-yl)-2-(4-methylphenyl)-6-nitro-1H-isoindole-1,3(2H)-dione
5-(4-benzylpiperidin-1-yl)-2-(4-methylphenyl)-6-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K906-0371 |
| Compound Name: | 5-(4-benzylpiperidin-1-yl)-2-(4-methylphenyl)-6-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C27 H25 N3 O4 |
| Smiles: | Cc1ccc(cc1)N1C(c2cc(c(cc2C1=O)N1CCC(CC1)Cc1ccccc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0347 |
| logD: | 6.0347 |
| logSw: | -5.6615 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.84 |
| InChI Key: | UQVARVWLOSVZAS-UHFFFAOYSA-N |