N-[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-3-nitrobenzamide
N-[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 3807-3797 |
| Compound Name: | N-[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-3-nitrobenzamide |
| Molecular Weight: | 328.32 |
| Molecular Formula: | C17 H16 N2 O5 |
| Smiles: | CC(C1COc2ccccc2O1)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2596 |
| logD: | 3.2596 |
| logSw: | -3.7075 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.633 |
| InChI Key: | QAUMHRBQSUPHCA-UHFFFAOYSA-N |