2-methylpropyl 4-[3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzoate
Chemical Structure Depiction of
2-methylpropyl 4-[3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzoate
2-methylpropyl 4-[3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | 2595-1308 |
| Compound Name: | 2-methylpropyl 4-[3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]benzoate |
| Molecular Weight: | 439.42 |
| Molecular Formula: | C22 H21 N3 O7 |
| Smiles: | CC(C)COC(c1ccc(cc1)NC(CCN1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7059 |
| logD: | 2.7056 |
| logSw: | -3.457 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.829 |
| InChI Key: | IZHDOYFZHYAAEQ-UHFFFAOYSA-N |