4-butyl-6-chloro-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-6-chloro-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2H-1-benzopyran-2-one
4-butyl-6-chloro-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0109 |
| Compound Name: | 4-butyl-6-chloro-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 363.88 |
| Molecular Formula: | C20 H26 Cl N O3 |
| Smiles: | CCCCC1=CC(=O)Oc2c1cc(c(c2CN1CCCC(C)C1)O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3341 |
| logD: | 4.7258 |
| logSw: | -5.5935 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.475 |
| InChI Key: | CFJJUQDNDHRZJU-ZDUSSCGKSA-N |