N-[2-acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]phenylalanine
Chemical Structure Depiction of
N-[2-acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]phenylalanine
N-[2-acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]phenylalanine
Compound characteristics
| Compound ID: | 3633-0084 |
| Compound Name: | N-[2-acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]phenylalanine |
| Molecular Weight: | 396.4 |
| Molecular Formula: | C21 H20 N2 O6 |
| Smiles: | CC(NC(=C\c1ccc2c(c1)OCO2)\C(NC(Cc1ccccc1)C(O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9845 |
| logD: | -2.3551 |
| logSw: | -1.8928 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.901 |
| InChI Key: | KIPACRKTCCFPJL-KRWDZBQOSA-N |