3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | G786-1938 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C22 H23 N O5 |
| Smiles: | COc1ccc(cc1OC)C1=Cc2ccc(c(CN3CCCC3)c2OC1=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.1687 |
| logD: | 2.4713 |
| logSw: | -3.2898 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.48 |
| InChI Key: | SBBPSSHBFOXAGV-UHFFFAOYSA-N |