4-[(4-benzylpiperazin-1-yl)methyl]-6-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-[(4-benzylpiperazin-1-yl)methyl]-6-hydroxy-2H-1-benzopyran-2-one
4-[(4-benzylpiperazin-1-yl)methyl]-6-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-3861 |
| Compound Name: | 4-[(4-benzylpiperazin-1-yl)methyl]-6-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C21 H22 N2 O3 |
| Smiles: | C1CN(CCN1CC1=CC(=O)Oc2ccc(cc12)O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1352 |
| logD: | 1.7699 |
| logSw: | -3.1148 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.536 |
| InChI Key: | MOFDKLUZENTMGZ-UHFFFAOYSA-N |