{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(5-bromofuran-2-yl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(5-bromofuran-2-yl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(5-bromofuran-2-yl)methanone
Compound characteristics
| Compound ID: | Y206-6584 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(5-bromofuran-2-yl)methanone |
| Molecular Weight: | 393.24 |
| Molecular Formula: | C17 H17 Br N2 O4 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1ccc(o1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5604 |
| logD: | 2.3729 |
| logSw: | -2.7717 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.468 |
| InChI Key: | OYTMJMGKJHXVGJ-UHFFFAOYSA-N |