3-methylbutyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Chemical Structure Depiction of
3-methylbutyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
3-methylbutyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Compound characteristics
Compound ID: | 8004-7683 |
Compound Name: | 3-methylbutyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate |
Molecular Weight: | 382.37 |
Molecular Formula: | C20 H18 N2 O6 |
Smiles: | CC(C)CCOC(c1ccc2C(N(C(c2c1)=O)c1ccc(cc1)[N+]([O-])=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.6476 |
logD: | 4.6476 |
logSw: | -4.388 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 83.309 |
InChI Key: | UETDZKGQKOQSCG-UHFFFAOYSA-N |