6-chloro-7-hydroxy-3,4-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-7-hydroxy-3,4-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-2H-1-benzopyran-2-one
6-chloro-7-hydroxy-3,4-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0008 |
| Compound Name: | 6-chloro-7-hydroxy-3,4-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 335.83 |
| Molecular Formula: | C18 H22 Cl N O3 |
| Smiles: | CC1CCCN(C1)Cc1c(c(cc2C(C)=C(C)C(=O)Oc12)[Cl])O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4501 |
| logD: | 3.8418 |
| logSw: | -4.3459 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.989 |
| InChI Key: | CSECEVUEOJVQDB-JTQLQIEISA-N |