2-(4-methylanilino)-2-oxoethyl (4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Chemical Structure Depiction of
2-(4-methylanilino)-2-oxoethyl (4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
2-(4-methylanilino)-2-oxoethyl (4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Compound characteristics
| Compound ID: | 8006-4182 |
| Compound Name: | 2-(4-methylanilino)-2-oxoethyl (4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate |
| Molecular Weight: | 397.34 |
| Molecular Formula: | C19 H15 N3 O7 |
| Smiles: | Cc1ccc(cc1)NC(COC(CN1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5417 |
| logD: | 1.5417 |
| logSw: | -2.6031 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.256 |
| InChI Key: | USAGWSSYIDXLFT-UHFFFAOYSA-N |