6-chloro-3-hexyl-7-hydroxy-4-methyl-8-[(3-methylpiperidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3-hexyl-7-hydroxy-4-methyl-8-[(3-methylpiperidin-1-yl)methyl]-2H-1-benzopyran-2-one
6-chloro-3-hexyl-7-hydroxy-4-methyl-8-[(3-methylpiperidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-1648 |
| Compound Name: | 6-chloro-3-hexyl-7-hydroxy-4-methyl-8-[(3-methylpiperidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 405.96 |
| Molecular Formula: | C23 H32 Cl N O3 |
| Smiles: | CCCCCCC1=C(C)c2cc(c(c(CN3CCCC(C)C3)c2OC1=O)O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0592 |
| logD: | 6.4509 |
| logSw: | -5.9874 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.989 |
| InChI Key: | YTXMQFMTPUVPAO-HNNXBMFYSA-N |