3-(2H-1,3-benzodioxol-5-yl)-N-(4-bromo-2-fluorophenyl)prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-(4-bromo-2-fluorophenyl)prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-(4-bromo-2-fluorophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-1312 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-(4-bromo-2-fluorophenyl)prop-2-enamide |
| Molecular Weight: | 364.17 |
| Molecular Formula: | C16 H11 Br F N O3 |
| Smiles: | C1Oc2ccc(/C=C/C(Nc3ccc(cc3F)[Br])=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 4.6813 |
| logD: | 4.6703 |
| logSw: | -4.7339 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.534 |
| InChI Key: | ZREDKKJKEFLTEG-UHFFFAOYSA-N |