3-(2H-1,3-benzodioxol-5-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-0985 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 326.31 |
| Molecular Formula: | C17 H14 N2 O5 |
| Smiles: | Cc1cc(ccc1NC(/C=C/c1ccc2c(c1)OCO2)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9766 |
| logD: | 3.9732 |
| logSw: | -4.1336 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.915 |
| InChI Key: | YNZOESQXYLNJCL-UHFFFAOYSA-N |