2-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
2-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0171 |
| Compound Name: | 2-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C25 H28 N4 O4 |
| Smiles: | C1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1303 |
| logD: | 3.0533 |
| logSw: | -3.4366 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.845 |
| InChI Key: | PWDCNNICAHPELG-UHFFFAOYSA-N |