methyl 4-oxo-4-[3-(1H-pyrrol-1-yl)-1-benzofuran-2-yl]butanoate
Chemical Structure Depiction of
methyl 4-oxo-4-[3-(1H-pyrrol-1-yl)-1-benzofuran-2-yl]butanoate
methyl 4-oxo-4-[3-(1H-pyrrol-1-yl)-1-benzofuran-2-yl]butanoate
Compound characteristics
| Compound ID: | 8015-4905 |
| Compound Name: | methyl 4-oxo-4-[3-(1H-pyrrol-1-yl)-1-benzofuran-2-yl]butanoate |
| Molecular Weight: | 297.31 |
| Molecular Formula: | C17 H15 N O4 |
| Smiles: | COC(CCC(c1c(c2ccccc2o1)n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5943 |
| logD: | 3.5943 |
| logSw: | -3.7789 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.974 |
| InChI Key: | WLRWYXHJSOBTDB-UHFFFAOYSA-N |