N-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzamido)prop-2-enoyl]alanine
Chemical Structure Depiction of
N-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzamido)prop-2-enoyl]alanine
N-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzamido)prop-2-enoyl]alanine
Compound characteristics
| Compound ID: | 5613-0345 |
| Compound Name: | N-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzamido)prop-2-enoyl]alanine |
| Molecular Weight: | 396.4 |
| Molecular Formula: | C21 H20 N2 O6 |
| Smiles: | CC(C(O)=O)NC(/C(=C/c1ccc2c(c1)OCO2)NC(c1ccc(C)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.817 |
| logD: | -1.5806 |
| logSw: | -2.2194 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.535 |
| InChI Key: | KNERJMBCPOUNND-ZDUSSCGKSA-N |