1-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-2-nitrophenyl]-N,N-diethylpiperidine-3-carboxamide
Chemical Structure Depiction of
1-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-2-nitrophenyl]-N,N-diethylpiperidine-3-carboxamide
1-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-2-nitrophenyl]-N,N-diethylpiperidine-3-carboxamide
Compound characteristics
Compound ID: | K807-0438 |
Compound Name: | 1-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-2-nitrophenyl]-N,N-diethylpiperidine-3-carboxamide |
Molecular Weight: | 454.53 |
Molecular Formula: | C24 H30 N4 O5 |
Smiles: | CCN(CC)C(C1CCCN(C1)c1ccc(cc1[N+]([O-])=O)N1C(C2CC=CCC2C1=O)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.4819 |
logD: | 2.4819 |
logSw: | -2.9395 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 81.17 |
InChI Key: | XVEUGMHPKXZMCM-UHFFFAOYSA-N |