N-(3-chloro-2-methylphenyl)-6-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-6-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanamide
N-(3-chloro-2-methylphenyl)-6-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanamide
Compound characteristics
| Compound ID: | 2595-1523 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-6-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanamide |
| Molecular Weight: | 429.86 |
| Molecular Formula: | C21 H20 Cl N3 O5 |
| Smiles: | Cc1c(cccc1[Cl])NC(CCCCCN1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9152 |
| logD: | 2.9148 |
| logSw: | -3.8277 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.002 |
| InChI Key: | CMGCDZVAKFBQJA-UHFFFAOYSA-N |