{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4H-thieno[3,2-c][1]benzopyran-2-yl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4H-thieno[3,2-c][1]benzopyran-2-yl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4H-thieno[3,2-c][1]benzopyran-2-yl)methanone
Compound characteristics
| Compound ID: | C712-1116 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4H-thieno[3,2-c][1]benzopyran-2-yl)methanone |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C24 H22 N2 O4 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1cc2COc3ccccc3c2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8168 |
| logD: | 3.632 |
| logSw: | -3.9919 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.659 |
| InChI Key: | UNABLQXZYIFMNY-UHFFFAOYSA-N |