N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-nitrobenzamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-nitrobenzamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-3403 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-nitrobenzamide |
| Molecular Weight: | 314.3 |
| Molecular Formula: | C16 H14 N2 O5 |
| Smiles: | Cc1cccc(C(Nc2ccc3c(c2)OCCO3)=O)c1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3292 |
| logD: | 1.7248 |
| logSw: | -3.0065 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.932 |
| InChI Key: | AGXASINVAPJMLH-UHFFFAOYSA-N |