3-(4-chlorophenyl)-7-hydroxy-8-[(4-methylpiperidin-1-yl)methyl]-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-(4-chlorophenyl)-7-hydroxy-8-[(4-methylpiperidin-1-yl)methyl]-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
3-(4-chlorophenyl)-7-hydroxy-8-[(4-methylpiperidin-1-yl)methyl]-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | 3232-0315 |
Compound Name: | 3-(4-chlorophenyl)-7-hydroxy-8-[(4-methylpiperidin-1-yl)methyl]-4H-1-benzopyran-4-one--hydrogen chloride (1/1) |
Molecular Weight: | 420.33 |
Molecular Formula: | C22 H22 Cl N O3 |
Salt: | HCl |
Smiles: | CC1CCN(CC1)Cc1c(ccc2C(C(=COc12)c1ccc(cc1)[Cl])=O)O |
Stereo: | ACHIRAL |
logP: | 4.6021 |
logD: | 4.2875 |
logSw: | -4.4487 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 40.825 |
InChI Key: | AHFGBDXCYPJGGJ-UHFFFAOYSA-N |