6-chloro-3-ethyl-7-hydroxy-4-methyl-8-[(piperidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3-ethyl-7-hydroxy-4-methyl-8-[(piperidin-1-yl)methyl]-2H-1-benzopyran-2-one
6-chloro-3-ethyl-7-hydroxy-4-methyl-8-[(piperidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0026 |
| Compound Name: | 6-chloro-3-ethyl-7-hydroxy-4-methyl-8-[(piperidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 335.83 |
| Molecular Formula: | C18 H22 Cl N O3 |
| Smiles: | CCC1=C(C)c2cc(c(c(CN3CCCCC3)c2OC1=O)O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5908 |
| logD: | 3.9637 |
| logSw: | -4.5436 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.056 |
| InChI Key: | OUOQGRXLGNBUQE-UHFFFAOYSA-N |