1'-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-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-isoindol-2-yl)-2-nitrophenyl][1,4'-bipiperidine]-4'-carboxamide
1'-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-2-nitrophenyl][1,4'-bipiperidine]-4'-carboxamide
Compound characteristics
Compound ID: | K807-0445 |
Compound Name: | 1'-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-2-nitrophenyl][1,4'-bipiperidine]-4'-carboxamide |
Molecular Weight: | 481.55 |
Molecular Formula: | C25 H31 N5 O5 |
Smiles: | C1CCN(CC1)C1(CCN(CC1)c1ccc(cc1[N+]([O-])=O)N1C(C2CC=CCC2C1=O)=O)C(N)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.3946 |
logD: | 2.0833 |
logSw: | -2.9727 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 102.44 |
InChI Key: | BJJOOAQDDTXNIR-UHFFFAOYSA-N |