N-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-methoxybenzamido)prop-2-enoyl]-beta-alanine
Chemical Structure Depiction of
N-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-methoxybenzamido)prop-2-enoyl]-beta-alanine
N-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-methoxybenzamido)prop-2-enoyl]-beta-alanine
Compound characteristics
| Compound ID: | 3379-3310 |
| Compound Name: | N-[3-(2H-1,3-benzodioxol-5-yl)-2-(2-methoxybenzamido)prop-2-enoyl]-beta-alanine |
| Molecular Weight: | 412.4 |
| Molecular Formula: | C21 H20 N2 O7 |
| Smiles: | COc1ccccc1C(NC(=C/c1ccc2c(c1)OCO2)\C(NCCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1308 |
| logD: | -1.5649 |
| logSw: | -2.3798 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.819 |
| InChI Key: | HYCNDASZAYLFFU-UHFFFAOYSA-N |