2-methylpropyl 4-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoate
Chemical Structure Depiction of
2-methylpropyl 4-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoate
2-methylpropyl 4-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoate
Compound characteristics
Compound ID: | 0584-0440 |
Compound Name: | 2-methylpropyl 4-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoate |
Molecular Weight: | 460.44 |
Molecular Formula: | C25 H20 N2 O7 |
Smiles: | CC(C)COC(c1ccc(cc1)N1C(c2ccc(cc2C1=O)Oc1ccc(cc1)[N+]([O-])=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.8152 |
logD: | 5.8152 |
logSw: | -5.5737 |
Hydrogen bond acceptors count: | 12 |
Polar surface area: | 90.138 |
InChI Key: | OQLPUBIODPAVGF-UHFFFAOYSA-N |