2-[4-(benzylamino)-3-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(benzylamino)-3-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
2-[4-(benzylamino)-3-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0278 |
| Compound Name: | 2-[4-(benzylamino)-3-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C21 H21 N3 O4 |
| Smiles: | C1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)NCc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2277 |
| logD: | 3.2277 |
| logSw: | -3.4816 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.689 |
| InChI Key: | VLZZMVQMMOKXBF-UHFFFAOYSA-N |