N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-fluoroanilino)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-fluoroanilino)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-fluoroanilino)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
Compound characteristics
Compound ID: | 2447-2654 |
Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-(3-fluoroanilino)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide |
Molecular Weight: | 432.45 |
Molecular Formula: | C25 H21 F N2 O4 |
Smiles: | Cc1ccc(cc1C)C(NC(=C/c1ccc2c(c1)OCO2)\C(Nc1cccc(c1)F)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.3113 |
logD: | 5.0963 |
logSw: | -5.4192 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 62.37 |
InChI Key: | ZKWLNBPZFYWPMR-UHFFFAOYSA-N |