N-(2H-1,3-benzodioxol-5-yl)-3-methyl-2-nitrobenzamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-3-methyl-2-nitrobenzamide
N-(2H-1,3-benzodioxol-5-yl)-3-methyl-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3563 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-3-methyl-2-nitrobenzamide |
| Molecular Weight: | 300.27 |
| Molecular Formula: | C15 H12 N2 O5 |
| Smiles: | Cc1cccc(C(Nc2ccc3c(c2)OCO3)=O)c1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1898 |
| logD: | 2.5854 |
| logSw: | -3.6867 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.225 |
| InChI Key: | OKGXTTKZMFZSRL-UHFFFAOYSA-N |