6-chloro-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
6-chloro-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-2378 |
| Compound Name: | 6-chloro-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 335.83 |
| Molecular Formula: | C18 H22 Cl N O3 |
| Smiles: | CCC1CCCCN1Cc1c(c(cc2C(C)=CC(=O)Oc12)[Cl])O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3404 |
| logD: | 3.4925 |
| logSw: | -4.3535 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.354 |
| InChI Key: | KOBRSAVGLLIUTE-LBPRGKRZSA-N |