2-[3-nitro-4-(octahydroquinolin-1(2H)-yl)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[3-nitro-4-(octahydroquinolin-1(2H)-yl)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione
2-[3-nitro-4-(octahydroquinolin-1(2H)-yl)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0019 |
| Compound Name: | 2-[3-nitro-4-(octahydroquinolin-1(2H)-yl)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C23 H29 N3 O4 |
| Smiles: | C1CCC2C(C1)CCCN2c1ccc(cc1[N+]([O-])=O)N1C(C2CCCCC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0726 |
| logD: | 3.0726 |
| logSw: | -3.3358 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.514 |
| InChI Key: | ZNEMNLWIYRCNIS-UHFFFAOYSA-N |