3-[1-(2H-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-methylphenyl)-1H-indole
Chemical Structure Depiction of
3-[1-(2H-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-methylphenyl)-1H-indole
3-[1-(2H-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-methylphenyl)-1H-indole
Compound characteristics
| Compound ID: | 4052-3361 |
| Compound Name: | 3-[1-(2H-1,3-benzodioxol-5-yl)-2-nitroethyl]-2-(4-methylphenyl)-1H-indole |
| Molecular Weight: | 400.43 |
| Molecular Formula: | C24 H20 N2 O4 |
| Smiles: | Cc1ccc(cc1)c1c(C(C[N+]([O-])=O)c2ccc3c(c2)OCO3)c2ccccc2[nH]1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4514 |
| logD: | 5.0569 |
| logSw: | -5.8539 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.578 |
| InChI Key: | BFAVTZSNRXAKIK-LJQANCHMSA-N |