propan-2-yl ({2-[(1-methyl-1H-pyrrol-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate
Chemical Structure Depiction of
propan-2-yl ({2-[(1-methyl-1H-pyrrol-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate
propan-2-yl ({2-[(1-methyl-1H-pyrrol-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate
Compound characteristics
| Compound ID: | Y043-5375 |
| Compound Name: | propan-2-yl ({2-[(1-methyl-1H-pyrrol-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetate |
| Molecular Weight: | 341.36 |
| Molecular Formula: | C19 H19 N O5 |
| Smiles: | CC(C)OC(COc1ccc2C(/C(=C\c3cccn3C)Oc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.075 |
| logD: | 3.075 |
| logSw: | -3.5035 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.598 |
| InChI Key: | KFARCARVBVXAFD-UHFFFAOYSA-N |