2-[(2-benzoyl-4-chloroanilino)methyl]-4-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[(2-benzoyl-4-chloroanilino)methyl]-4-nitro-1H-isoindole-1,3(2H)-dione
2-[(2-benzoyl-4-chloroanilino)methyl]-4-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 1552-0117 |
| Compound Name: | 2-[(2-benzoyl-4-chloroanilino)methyl]-4-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 435.82 |
| Molecular Formula: | C22 H14 Cl N3 O5 |
| Smiles: | C(Nc1ccc(cc1C(c1ccccc1)=O)[Cl])N1C(c2cccc(c2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7278 |
| logD: | 3.7278 |
| logSw: | -4.7403 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.501 |
| InChI Key: | UNSWGAAELQQYPG-UHFFFAOYSA-N |