N-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzamido)prop-2-enoyl]phenylalanine
Chemical Structure Depiction of
N-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzamido)prop-2-enoyl]phenylalanine
N-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzamido)prop-2-enoyl]phenylalanine
Compound characteristics
| Compound ID: | 5613-0347 |
| Compound Name: | N-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzamido)prop-2-enoyl]phenylalanine |
| Molecular Weight: | 472.5 |
| Molecular Formula: | C27 H24 N2 O6 |
| Smiles: | Cc1ccc(cc1)C(NC(=C/c1ccc2c(c1)OCO2)\C(NC(Cc1ccccc1)C(O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9716 |
| logD: | -0.3681 |
| logSw: | -3.3776 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.73 |
| InChI Key: | AMLNRKNOLQANQJ-QFIPXVFZSA-N |