N-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-N-(4-methoxyphenyl)-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-N-(4-methoxyphenyl)-3,5-dinitrobenzamide
N-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-N-(4-methoxyphenyl)-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 0500-0188 |
| Compound Name: | N-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-N-(4-methoxyphenyl)-3,5-dinitrobenzamide |
| Molecular Weight: | 490.43 |
| Molecular Formula: | C24 H18 N4 O8 |
| Smiles: | COc1ccc(cc1)N(CCN1C(c2ccccc2C1=O)=O)C(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7101 |
| logD: | 3.7101 |
| logSw: | -3.9998 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 119.378 |
| InChI Key: | BHWCKNFMJFDMAP-UHFFFAOYSA-N |