2-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0502 |
| Compound Name: | 2-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 446.51 |
| Molecular Formula: | C25 H26 N4 O4 |
| Smiles: | C1C=CCC2C1C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2204 |
| logD: | 3.1434 |
| logSw: | -3.5172 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.845 |
| InChI Key: | LPVNYCMLEMZXQI-UHFFFAOYSA-N |