3-(2H-1,3-benzodioxol-5-yl)-N-(2-chloro-5-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-(2-chloro-5-nitrophenyl)prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-(2-chloro-5-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-1027 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-(2-chloro-5-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 346.72 |
| Molecular Formula: | C16 H11 Cl N2 O5 |
| Smiles: | C1Oc2ccc(/C=C/C(Nc3cc(ccc3[Cl])[N+]([O-])=O)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 4.1971 |
| logD: | 4.1283 |
| logSw: | -4.6679 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.915 |
| InChI Key: | BDIKFBKKFIHXSB-UHFFFAOYSA-N |