2-chloro-N-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-5-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-5-nitrobenzamide
2-chloro-N-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-5-nitrobenzamide
Compound characteristics
| Compound ID: | 0934-0585 |
| Compound Name: | 2-chloro-N-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-5-nitrobenzamide |
| Molecular Weight: | 491.93 |
| Molecular Formula: | C26 H22 Cl N3 O5 |
| Smiles: | Cc1ccc(cc1)N(CCCCN1C(c2ccccc2C1=O)=O)C(c1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3008 |
| logD: | 5.3008 |
| logSw: | -5.8014 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.452 |
| InChI Key: | XEGVRPRZQUBXLG-UHFFFAOYSA-N |