N-[1-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
Compound characteristics
| Compound ID: | 2447-2641 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl]-4-bromobenzamide |
| Molecular Weight: | 540.33 |
| Molecular Formula: | C24 H18 Br N3 O7 |
| Smiles: | COc1cc(ccc1NC(/C(=C/c1ccc2c(c1)OCO2)NC(c1ccc(cc1)[Br])=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0196 |
| logD: | 3.5263 |
| logSw: | -4.7671 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.684 |
| InChI Key: | RBWSEXZHUUAOKM-UHFFFAOYSA-N |