N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-nitrophenyl)prop-2-enamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-1706 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 326.31 |
| Molecular Formula: | C17 H14 N2 O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(/C=C/c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2246 |
| logD: | 3.2246 |
| logSw: | -3.3916 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.935 |
| InChI Key: | XIXMIEGVHBUMEW-UHFFFAOYSA-N |