N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-nitroanilino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-nitroanilino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-nitroanilino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide
Compound characteristics
| Compound ID: | 2535-3070 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-nitroanilino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide |
| Molecular Weight: | 510.3 |
| Molecular Formula: | C23 H16 Br N3 O6 |
| Smiles: | C1Oc2ccc(/C=C(/C(Nc3cccc(c3)[N+]([O-])=O)=O)NC(c3ccccc3[Br])=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 4.5491 |
| logD: | 4.1909 |
| logSw: | -4.5359 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.751 |
| InChI Key: | JNFQBVIIBPUAPD-UHFFFAOYSA-N |