3-(2H-1,3-benzodioxol-5-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-1347 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 326.31 |
| Molecular Formula: | C17 H14 N2 O5 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)NC(/C=C/c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9383 |
| logD: | 3.9367 |
| logSw: | -4.0776 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.615 |
| InChI Key: | GLBYUEKHUNAHSF-UHFFFAOYSA-N |