methyl 2-[(3-methylbut-2-enamido)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
Chemical Structure Depiction of
methyl 2-[(3-methylbut-2-enamido)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
methyl 2-[(3-methylbut-2-enamido)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
Compound characteristics
| Compound ID: | V016-2404 |
| Compound Name: | methyl 2-[(3-methylbut-2-enamido)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate |
| Molecular Weight: | 289.33 |
| Molecular Formula: | C16 H19 N O4 |
| Smiles: | CC(C)=CC(NCC1Cc2cc(ccc2O1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7251 |
| logD: | 2.7251 |
| logSw: | -3.0574 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.48 |
| InChI Key: | UUCGRVGYZPZGGZ-CYBMUJFWSA-N |