N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
Compound characteristics
| Compound ID: | 2681-3390 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-chloro-4-fluoroanilino)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide |
| Molecular Weight: | 466.9 |
| Molecular Formula: | C25 H20 Cl F N2 O4 |
| Smiles: | Cc1ccc(cc1C)C(NC(=C/c1ccc2c(c1)OCO2)\C(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8881 |
| logD: | 5.0436 |
| logSw: | -6.1383 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.37 |
| InChI Key: | WWWWBWTYLHANHL-UHFFFAOYSA-N |