4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-7-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-7-methoxy-2H-1-benzopyran-2-one
4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-7-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-4003 |
| Compound Name: | 4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-7-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 408.45 |
| Molecular Formula: | C23 H24 N2 O5 |
| Smiles: | COc1ccc2C(CN3CCN(CC3)Cc3ccc4c(c3)OCO4)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 2.46 |
| logD: | 1.1329 |
| logSw: | -3.0287 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.578 |
| InChI Key: | XUCXUMQYSBTQDA-UHFFFAOYSA-N |