N-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzamido)prop-2-enoyl]-beta-alanine
Chemical Structure Depiction of
N-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzamido)prop-2-enoyl]-beta-alanine
N-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzamido)prop-2-enoyl]-beta-alanine
Compound characteristics
| Compound ID: | 5613-0340 |
| Compound Name: | N-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzamido)prop-2-enoyl]-beta-alanine |
| Molecular Weight: | 396.4 |
| Molecular Formula: | C21 H20 N2 O6 |
| Smiles: | Cc1ccc(cc1)C(NC(=C/c1ccc2c(c1)OCO2)\C(NCCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7292 |
| logD: | -0.9665 |
| logSw: | -2.1312 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.189 |
| InChI Key: | AQCNYSJSOWJBIY-UHFFFAOYSA-N |