N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyanilino)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyanilino)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyanilino)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
Compound characteristics
| Compound ID: | 3379-3152 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyanilino)-3-oxoprop-1-en-2-yl]-4-bromobenzamide |
| Molecular Weight: | 495.33 |
| Molecular Formula: | C24 H19 Br N2 O5 |
| Smiles: | COc1ccc(cc1)NC(/C(=C/c1ccc2c(c1)OCO2)NC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9883 |
| logD: | 4.6301 |
| logSw: | -4.712 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.913 |
| InChI Key: | PNUBTNCTDQXRRQ-UHFFFAOYSA-N |