4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-6-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-6-hydroxy-2H-1-benzopyran-2-one
4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-6-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-3847 |
| Compound Name: | 4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-6-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C22 H22 N2 O5 |
| Smiles: | C1CN(CCN1CC1=CC(=O)Oc2ccc(cc12)O)Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.0064 |
| logD: | 0.6793 |
| logSw: | -2.8238 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.651 |
| InChI Key: | ITQQNPNTVSMNCB-UHFFFAOYSA-N |