4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-6-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-6-methyl-2H-1-benzopyran-2-one
4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-6-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-4002 |
| Compound Name: | 4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-6-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 392.45 |
| Molecular Formula: | C23 H24 N2 O4 |
| Smiles: | Cc1ccc2c(c1)C(CN1CCN(CC1)Cc1ccc3c(c1)OCO3)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.8002 |
| logD: | 1.4731 |
| logSw: | -3.1782 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.034 |
| InChI Key: | KTYKULQYVPOVEG-UHFFFAOYSA-N |