methyl {7-hydroxy-4-methyl-2-oxo-8-[(piperidin-1-yl)methyl]-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {7-hydroxy-4-methyl-2-oxo-8-[(piperidin-1-yl)methyl]-2H-1-benzopyran-3-yl}acetate
methyl {7-hydroxy-4-methyl-2-oxo-8-[(piperidin-1-yl)methyl]-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | D635-0015 |
| Compound Name: | methyl {7-hydroxy-4-methyl-2-oxo-8-[(piperidin-1-yl)methyl]-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 345.39 |
| Molecular Formula: | C19 H23 N O5 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2c1ccc(c2CN1CCCCC1)O |
| Stereo: | ACHIRAL |
| logP: | 2.6033 |
| logD: | 1.6696 |
| logSw: | -2.9208 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.704 |
| InChI Key: | BXKRCSDNWZXJCW-UHFFFAOYSA-N |