6-chloro-7-hydroxy-3,4-dimethyl-8-[(piperidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-7-hydroxy-3,4-dimethyl-8-[(piperidin-1-yl)methyl]-2H-1-benzopyran-2-one
6-chloro-7-hydroxy-3,4-dimethyl-8-[(piperidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0025 |
| Compound Name: | 6-chloro-7-hydroxy-3,4-dimethyl-8-[(piperidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 321.8 |
| Molecular Formula: | C17 H20 Cl N O3 |
| Smiles: | CC1=C(C)c2cc(c(c(CN3CCCCC3)c2OC1=O)O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.188 |
| logD: | 3.5609 |
| logSw: | -4.2446 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.056 |
| InChI Key: | FNPUYOVZKMKXSP-UHFFFAOYSA-N |