4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one
4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D154-0188 |
| Compound Name: | 4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 392.45 |
| Molecular Formula: | C23 H24 N2 O4 |
| Smiles: | Cc1ccc2C(CN3CCN(CC3)Cc3ccc4c(c3)OCO4)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0055 |
| logD: | 1.6784 |
| logSw: | -3.2263 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.034 |
| InChI Key: | IJDODFDQIJIZBV-UHFFFAOYSA-N |