3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7,8-dihydroxy-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7,8-dihydroxy-4-methyl-2H-1-benzopyran-2-one
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7,8-dihydroxy-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-3639 |
| Compound Name: | 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7,8-dihydroxy-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C24 H25 N O5 |
| Smiles: | CC1=C(CC(N2CCC(CC2)Cc2ccccc2)=O)C(=O)Oc2c1ccc(c2O)O |
| Stereo: | ACHIRAL |
| logP: | 4.1282 |
| logD: | 4.0665 |
| logSw: | -4.124 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.721 |
| InChI Key: | FTHQXXQYJVVVEM-UHFFFAOYSA-N |