2-[(4-acetylanilino)methyl]-4-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[(4-acetylanilino)methyl]-4-nitro-1H-isoindole-1,3(2H)-dione
2-[(4-acetylanilino)methyl]-4-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 2314-0209 |
| Compound Name: | 2-[(4-acetylanilino)methyl]-4-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 339.31 |
| Molecular Formula: | C17 H13 N3 O5 |
| Smiles: | CC(c1ccc(cc1)NCN1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3681 |
| logD: | 1.3681 |
| logSw: | -2.2824 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.558 |
| InChI Key: | QAMRZBHFPTUARK-UHFFFAOYSA-N |