methyl {7-hydroxy-4-methyl-8-[(3-methylpiperidin-1-yl)methyl]-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {7-hydroxy-4-methyl-8-[(3-methylpiperidin-1-yl)methyl]-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {7-hydroxy-4-methyl-8-[(3-methylpiperidin-1-yl)methyl]-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | D635-0016 |
| Compound Name: | methyl {7-hydroxy-4-methyl-8-[(3-methylpiperidin-1-yl)methyl]-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 359.42 |
| Molecular Formula: | C20 H25 N O5 |
| Smiles: | CC1CCCN(C1)Cc1c(ccc2C(C)=C(CC(=O)OC)C(=O)Oc12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8654 |
| logD: | 1.9536 |
| logSw: | -3.0928 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.637 |
| InChI Key: | KOAGEOMHLJIDSC-LBPRGKRZSA-N |