4-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-methoxybenzamido)prop-2-enamido]butanoic acid
Chemical Structure Depiction of
4-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-methoxybenzamido)prop-2-enamido]butanoic acid
4-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-methoxybenzamido)prop-2-enamido]butanoic acid
Compound characteristics
| Compound ID: | 3379-3313 |
| Compound Name: | 4-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-methoxybenzamido)prop-2-enamido]butanoic acid |
| Molecular Weight: | 426.42 |
| Molecular Formula: | C22 H22 N2 O7 |
| Smiles: | COc1ccccc1C(NC(=C/c1ccc2c(c1)OCO2)\C(NCCCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5447 |
| logD: | -1.2762 |
| logSw: | -2.4518 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.819 |
| InChI Key: | VWYXRMOVKHQPQH-UHFFFAOYSA-N |