2-[3-nitro-4-(propylamino)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[3-nitro-4-(propylamino)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-[3-nitro-4-(propylamino)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0524 |
| Compound Name: | 2-[3-nitro-4-(propylamino)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 329.35 |
| Molecular Formula: | C17 H19 N3 O4 |
| Smiles: | CCCNc1ccc(cc1[N+]([O-])=O)N1C(C2CC=CCC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8293 |
| logD: | 2.8293 |
| logSw: | -3.3301 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.802 |
| InChI Key: | BQRIUPMYYUBJKB-UHFFFAOYSA-N |