5-nitro-2-[4-(3-oxo-3-phenylprop-1-en-1-yl)phenyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-nitro-2-[4-(3-oxo-3-phenylprop-1-en-1-yl)phenyl]-1H-isoindole-1,3(2H)-dione
5-nitro-2-[4-(3-oxo-3-phenylprop-1-en-1-yl)phenyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 2036-0504 |
| Compound Name: | 5-nitro-2-[4-(3-oxo-3-phenylprop-1-en-1-yl)phenyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 398.37 |
| Molecular Formula: | C23 H14 N2 O5 |
| Smiles: | C(=C/c1ccc(cc1)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)\C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1373 |
| logD: | 4.1373 |
| logSw: | -4.4693 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.237 |
| InChI Key: | GBXABAISMGABCD-UHFFFAOYSA-N |