2-[1-(2H-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-phenyl-1H-indene-1,3(2H)-dione
Chemical Structure Depiction of
2-[1-(2H-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-phenyl-1H-indene-1,3(2H)-dione
2-[1-(2H-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-phenyl-1H-indene-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8009-8179 |
| Compound Name: | 2-[1-(2H-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-phenyl-1H-indene-1,3(2H)-dione |
| Molecular Weight: | 415.4 |
| Molecular Formula: | C24 H17 N O6 |
| Smiles: | C(C(c1ccc2c(c1)OCO2)C1(C(c2ccccc2C1=O)=O)c1ccccc1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3705 |
| logD: | -1.4629 |
| logSw: | -4.5301 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.038 |
| InChI Key: | BMIHEQNPPNUPGK-LJQANCHMSA-N |