methyl {7-hydroxy-4-methyl-2-oxo-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {7-hydroxy-4-methyl-2-oxo-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-3-yl}acetate
methyl {7-hydroxy-4-methyl-2-oxo-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | D635-0018 |
| Compound Name: | methyl {7-hydroxy-4-methyl-2-oxo-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 331.37 |
| Molecular Formula: | C18 H21 N O5 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2c1ccc(c2CN1CCCC1)O |
| Stereo: | ACHIRAL |
| logP: | 2.2231 |
| logD: | 0.8858 |
| logSw: | -2.8069 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.07 |
| InChI Key: | GWYINCCJRGTRLX-UHFFFAOYSA-N |