N-[3-amino-1-(2H-1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-2-bromobenzamide
Chemical Structure Depiction of
N-[3-amino-1-(2H-1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-2-bromobenzamide
N-[3-amino-1-(2H-1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-2-bromobenzamide
Compound characteristics
| Compound ID: | 3379-3161 |
| Compound Name: | N-[3-amino-1-(2H-1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-2-bromobenzamide |
| Molecular Weight: | 389.2 |
| Molecular Formula: | C17 H13 Br N2 O4 |
| Smiles: | C1Oc2ccc(/C=C(/C(N)=O)NC(c3ccccc3[Br])=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 2.2801 |
| logD: | 1.1273 |
| logSw: | -3.2286 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.337 |
| InChI Key: | YWEHAQXDCOZSLB-UHFFFAOYSA-N |