6-chloro-3-ethyl-7-hydroxy-4-methyl-8-[(3-methylpiperidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3-ethyl-7-hydroxy-4-methyl-8-[(3-methylpiperidin-1-yl)methyl]-2H-1-benzopyran-2-one
6-chloro-3-ethyl-7-hydroxy-4-methyl-8-[(3-methylpiperidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0096 |
| Compound Name: | 6-chloro-3-ethyl-7-hydroxy-4-methyl-8-[(3-methylpiperidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 349.86 |
| Molecular Formula: | C19 H24 Cl N O3 |
| Smiles: | CCC1=C(C)c2cc(c(c(CN3CCCC(C)C3)c2OC1=O)O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8529 |
| logD: | 4.2446 |
| logSw: | -4.6233 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.989 |
| InChI Key: | IOJVXSUWACTTBY-NSHDSACASA-N |