N-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-3,5-dinitrobenzamide
N-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 0934-0584 |
| Compound Name: | N-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-3,5-dinitrobenzamide |
| Molecular Weight: | 502.48 |
| Molecular Formula: | C26 H22 N4 O7 |
| Smiles: | Cc1ccc(cc1)N(CCCCN1C(c2ccccc2C1=O)=O)C(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5587 |
| logD: | 4.5587 |
| logSw: | -4.3539 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 111.834 |
| InChI Key: | FHCXDPOLMHVBLO-UHFFFAOYSA-N |