2-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione
2-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0145 |
| Compound Name: | 2-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C24 H26 N4 O4 |
| Smiles: | C1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4492 |
| logD: | 3.4492 |
| logSw: | -3.8149 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.564 |
| InChI Key: | QJGHWKONONPYJD-UHFFFAOYSA-N |