2-(4-nitrophenyl)-2-oxoethyl 6-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoate
Chemical Structure Depiction of
2-(4-nitrophenyl)-2-oxoethyl 6-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoate
2-(4-nitrophenyl)-2-oxoethyl 6-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoate
Compound characteristics
| Compound ID: | 2054-0546 |
| Compound Name: | 2-(4-nitrophenyl)-2-oxoethyl 6-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoate |
| Molecular Weight: | 562.19 |
| Molecular Formula: | C22 H16 Cl4 N2 O7 |
| Smiles: | C(CCC(=O)OCC(c1ccc(cc1)[N+]([O-])=O)=O)CCN1C(c2c(C1=O)c(c(c(c2[Cl])[Cl])[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7975 |
| logD: | 4.7975 |
| logSw: | -5.7845 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 96.632 |
| InChI Key: | TUDBZINMAYCQBX-UHFFFAOYSA-N |