N-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzamido)prop-2-enoyl]valine
Chemical Structure Depiction of
N-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzamido)prop-2-enoyl]valine
N-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzamido)prop-2-enoyl]valine
Compound characteristics
| Compound ID: | 5613-0343 |
| Compound Name: | N-[3-(2H-1,3-benzodioxol-5-yl)-2-(4-methylbenzamido)prop-2-enoyl]valine |
| Molecular Weight: | 424.45 |
| Molecular Formula: | C23 H24 N2 O6 |
| Smiles: | CC(C)C(C(O)=O)NC(/C(=C/c1ccc2c(c1)OCO2)NC(c1ccc(C)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1435 |
| logD: | -1.1927 |
| logSw: | -2.8808 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.724 |
| InChI Key: | LYOQSXPAAXXJGG-FQEVSTJZSA-N |