3-methylbutyl 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Chemical Structure Depiction of
3-methylbutyl 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
3-methylbutyl 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Compound characteristics
| Compound ID: | 0627-0164 |
| Compound Name: | 3-methylbutyl 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate |
| Molecular Weight: | 382.37 |
| Molecular Formula: | C20 H18 N2 O6 |
| Smiles: | CC(C)CCOC(c1ccc(cc1)N1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.482 |
| logD: | 3.482 |
| logSw: | -4.0289 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.008 |
| InChI Key: | XCASRUDTFKBLPC-UHFFFAOYSA-N |