3-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-methoxybenzamido)prop-2-enamido]benzoic acid
Chemical Structure Depiction of
3-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-methoxybenzamido)prop-2-enamido]benzoic acid
3-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-methoxybenzamido)prop-2-enamido]benzoic acid
Compound characteristics
| Compound ID: | 3379-2303 |
| Compound Name: | 3-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-methoxybenzamido)prop-2-enamido]benzoic acid |
| Molecular Weight: | 460.44 |
| Molecular Formula: | C25 H20 N2 O7 |
| Smiles: | COc1ccccc1C(NC(=C\c1ccc2c(c1)OCO2)\C(Nc1cccc(c1)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.121 |
| logD: | 1.2351 |
| logSw: | -4.3108 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.408 |
| InChI Key: | ZOPGONKTHBJPHR-UHFFFAOYSA-N |