4-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzamido)prop-2-enamido]benzoic acid
Chemical Structure Depiction of
4-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzamido)prop-2-enamido]benzoic acid
4-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzamido)prop-2-enamido]benzoic acid
Compound characteristics
| Compound ID: | 5613-0331 |
| Compound Name: | 4-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzamido)prop-2-enamido]benzoic acid |
| Molecular Weight: | 444.44 |
| Molecular Formula: | C25 H20 N2 O6 |
| Smiles: | Cc1ccc(cc1)C(NC(=C/c1ccc2c(c1)OCO2)\C(Nc1ccc(cc1)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4436 |
| logD: | 2.0484 |
| logSw: | -4.2319 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.778 |
| InChI Key: | KIIOYBVSOGYQJW-UHFFFAOYSA-N |