N-[3-(4-acetylanilino)-1-(2H-1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
Chemical Structure Depiction of
N-[3-(4-acetylanilino)-1-(2H-1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
N-[3-(4-acetylanilino)-1-(2H-1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
Compound characteristics
| Compound ID: | 3379-3289 |
| Compound Name: | N-[3-(4-acetylanilino)-1-(2H-1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide |
| Molecular Weight: | 458.47 |
| Molecular Formula: | C26 H22 N2 O6 |
| Smiles: | CC(c1ccc(cc1)NC(/C(=C/c1ccc2c(c1)OCO2)NC(c1ccccc1OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5391 |
| logD: | 2.9567 |
| logSw: | -3.8306 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.827 |
| InChI Key: | QRKQTOACRCPJFX-UHFFFAOYSA-N |