N-[1-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide
Compound characteristics
| Compound ID: | 2628-3161 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxy-4-nitroanilino)-3-oxoprop-1-en-2-yl]-2-bromobenzamide |
| Molecular Weight: | 540.33 |
| Molecular Formula: | C24 H18 Br N3 O7 |
| Smiles: | COc1cc(ccc1NC(/C(=C\c1ccc2c(c1)OCO2)NC(c1ccccc1[Br])=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.495 |
| logD: | 3.0017 |
| logSw: | -4.4561 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.684 |
| InChI Key: | COORFKRWGVLFDD-UHFFFAOYSA-N |