4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-6-ethyl-7-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-6-ethyl-7-hydroxy-2H-1-benzopyran-2-one
4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-6-ethyl-7-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-3919 |
| Compound Name: | 4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-6-ethyl-7-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C24 H26 N2 O5 |
| Smiles: | CCc1cc2C(CN3CCN(CC3)Cc3ccc4c(c3)OCO4)=CC(=O)Oc2cc1O |
| Stereo: | ACHIRAL |
| logP: | 2.845 |
| logD: | 1.5179 |
| logSw: | -3.0648 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.582 |
| InChI Key: | DHELFXMLOFNOAK-UHFFFAOYSA-N |