5-hydroxy-4,7-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
5-hydroxy-4,7-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-2H-1-benzopyran-2-one
5-hydroxy-4,7-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-3542 |
| Compound Name: | 5-hydroxy-4,7-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 301.38 |
| Molecular Formula: | C18 H23 N O3 |
| Smiles: | CC1CCCN(C1)Cc1c(C)cc2c(C(C)=CC(=O)O2)c1O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4583 |
| logD: | 2.2715 |
| logSw: | -3.7676 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.791 |
| InChI Key: | KTOWABLTUGFCRB-NSHDSACASA-N |