5-methyl-2-{3-nitro-4-[4-(4-nitrophenyl)piperazin-1-yl]phenyl}hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-methyl-2-{3-nitro-4-[4-(4-nitrophenyl)piperazin-1-yl]phenyl}hexahydro-1H-isoindole-1,3(2H)-dione
5-methyl-2-{3-nitro-4-[4-(4-nitrophenyl)piperazin-1-yl]phenyl}hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0933 |
| Compound Name: | 5-methyl-2-{3-nitro-4-[4-(4-nitrophenyl)piperazin-1-yl]phenyl}hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 493.52 |
| Molecular Formula: | C25 H27 N5 O6 |
| Smiles: | CC1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0249 |
| logD: | 4.0249 |
| logSw: | -4.2163 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 101.946 |
| InChI Key: | ZVWBNKPIVHYVRJ-UHFFFAOYSA-N |