4-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-chlorobenzamido)prop-2-enamido]benzoic acid
Chemical Structure Depiction of
4-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-chlorobenzamido)prop-2-enamido]benzoic acid
4-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-chlorobenzamido)prop-2-enamido]benzoic acid
Compound characteristics
| Compound ID: | 3379-2110 |
| Compound Name: | 4-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-chlorobenzamido)prop-2-enamido]benzoic acid |
| Molecular Weight: | 464.86 |
| Molecular Formula: | C24 H17 Cl N2 O6 |
| Smiles: | C1Oc2ccc(\C=C(/C(Nc3ccc(cc3)C(O)=O)=O)NC(c3ccccc3[Cl])=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 4.4754 |
| logD: | 2.0802 |
| logSw: | -4.2531 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.778 |
| InChI Key: | AQFPKWUVQSDVOY-UHFFFAOYSA-N |