2-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
2-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | R052-1017 |
| Compound Name: | 2-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 448.43 |
| Molecular Formula: | C24 H20 N2 O7 |
| Smiles: | COc1ccc(CCN2C(c3ccc(cc3C2=O)Oc2ccc(cc2)[N+]([O-])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.2278 |
| logD: | 4.2278 |
| logSw: | -4.3903 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.86 |
| InChI Key: | IUOGBEJQZLEXIJ-UHFFFAOYSA-N |