3-(2H-1,3-benzodioxol-5-yl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-1342 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 342.31 |
| Molecular Formula: | C17 H14 N2 O6 |
| Smiles: | COc1cc(ccc1NC(/C=C/c1ccc2c(c1)OCO2)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8163 |
| logD: | 3.7641 |
| logSw: | -4.07 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.546 |
| InChI Key: | NFHDAZYLAOMKKL-UHFFFAOYSA-N |