4-[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenoxy]-3-nitrobenzonitrile
Chemical Structure Depiction of
4-[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenoxy]-3-nitrobenzonitrile
4-[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenoxy]-3-nitrobenzonitrile
Compound characteristics
| Compound ID: | 8009-9228 |
| Compound Name: | 4-[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenoxy]-3-nitrobenzonitrile |
| Molecular Weight: | 391.38 |
| Molecular Formula: | C21 H17 N3 O5 |
| Smiles: | C1CCC2C(C1)C(N(C2=O)c1ccc(cc1)Oc1ccc(C#N)cc1[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.682 |
| logD: | 2.682 |
| logSw: | -3.2754 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 86.043 |
| InChI Key: | PWOLCELAAVSXLD-UHFFFAOYSA-N |