N-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
N-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 0800-0758 |
| Compound Name: | N-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-N-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 483.52 |
| Molecular Formula: | C28 H25 N3 O5 |
| Smiles: | Cc1ccc(cc1)N(CCCCN1C(c2ccccc2C1=O)=O)C(/C=C/c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1759 |
| logD: | 5.1751 |
| logSw: | -4.9298 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.925 |
| InChI Key: | DWJCQSMAWGSZPQ-UHFFFAOYSA-N |