3-benzyl-6-chloro-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-6-chloro-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
3-benzyl-6-chloro-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7580 |
| Compound Name: | 3-benzyl-6-chloro-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 425.95 |
| Molecular Formula: | C25 H28 Cl N O3 |
| Smiles: | CCC1CCCCN1Cc1c(c(cc2C(C)=C(Cc3ccccc3)C(=O)Oc12)[Cl])O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3001 |
| logD: | 5.4522 |
| logSw: | -5.7491 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.597 |
| InChI Key: | PSQOCDMLJRKTTP-SFHVURJKSA-N |