1'-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-2-nitrophenyl][1,4'-bipiperidine]-4'-carboxamide
Chemical Structure Depiction of
1'-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-2-nitrophenyl][1,4'-bipiperidine]-4'-carboxamide
1'-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-2-nitrophenyl][1,4'-bipiperidine]-4'-carboxamide
Compound characteristics
| Compound ID: | K807-1107 |
| Compound Name: | 1'-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-2-nitrophenyl][1,4'-bipiperidine]-4'-carboxamide |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C26 H31 N5 O5 |
| Smiles: | C1CCN(CC1)C1(CCN(CC1)c1ccc(cc1[N+]([O-])=O)N1C(C2C3CC(C=C3)C2C1=O)=O)C(N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9427 |
| logD: | 1.6313 |
| logSw: | -2.7288 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.092 |
| InChI Key: | IMKMNSNJOBJBOY-UHFFFAOYSA-N |