2-phenylethyl 5-hydroxy-2-methyl-4-[(pyrrolidin-1-yl)methyl]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
2-phenylethyl 5-hydroxy-2-methyl-4-[(pyrrolidin-1-yl)methyl]-1-benzofuran-3-carboxylate
2-phenylethyl 5-hydroxy-2-methyl-4-[(pyrrolidin-1-yl)methyl]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | D089-0226 |
| Compound Name: | 2-phenylethyl 5-hydroxy-2-methyl-4-[(pyrrolidin-1-yl)methyl]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 379.45 |
| Molecular Formula: | C23 H25 N O4 |
| Smiles: | Cc1c(C(=O)OCCc2ccccc2)c2c(CN3CCCC3)c(ccc2o1)O |
| Stereo: | ACHIRAL |
| logP: | 4.4379 |
| logD: | 3.3133 |
| logSw: | -4.4743 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.609 |
| InChI Key: | UUSHDWROKLFUHV-UHFFFAOYSA-N |