N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
Compound characteristics
| Compound ID: | 2681-3362 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-3-oxoprop-1-en-2-yl]-4-bromobenzamide |
| Molecular Weight: | 517.74 |
| Molecular Formula: | C23 H15 Br Cl F N2 O4 |
| Smiles: | C1Oc2ccc(/C=C(/C(Nc3ccc(c(c3)[Cl])F)=O)NC(c3ccc(cc3)[Br])=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 5.7361 |
| logD: | 4.8916 |
| logSw: | -6.1779 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.37 |
| InChI Key: | OYSMOQDFAZNLRR-UHFFFAOYSA-N |