2-methoxy-4-(2-nitroethenyl)phenyl 6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoate
Chemical Structure Depiction of
2-methoxy-4-(2-nitroethenyl)phenyl 6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoate
2-methoxy-4-(2-nitroethenyl)phenyl 6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoate
Compound characteristics
| Compound ID: | 5596-0248 |
| Compound Name: | 2-methoxy-4-(2-nitroethenyl)phenyl 6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoate |
| Molecular Weight: | 438.44 |
| Molecular Formula: | C23 H22 N2 O7 |
| Smiles: | COc1cc(/C=C/[N+]([O-])=O)ccc1OC(CCCCCN1C(c2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.705 |
| logD: | 3.705 |
| logSw: | -3.9702 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.5 |
| InChI Key: | LNSIXVJBOBTZAJ-UHFFFAOYSA-N |