N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-3-nitrobenzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | 3666-2557 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 314.3 |
| Molecular Formula: | C16 H14 N2 O5 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1385 |
| logD: | 3.1385 |
| logSw: | -3.6538 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.848 |
| InChI Key: | KDEFFDXUFOIUOG-UHFFFAOYSA-N |