2-[(3-acetylanilino)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[(3-acetylanilino)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione
2-[(3-acetylanilino)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 0627-0007 |
| Compound Name: | 2-[(3-acetylanilino)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 339.31 |
| Molecular Formula: | C17 H13 N3 O5 |
| Smiles: | CC(c1cccc(c1)NCN1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3699 |
| logD: | 2.3699 |
| logSw: | -3.009 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.859 |
| InChI Key: | KTIYQLQLXPJLHZ-UHFFFAOYSA-N |