{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(2-bromophenyl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(2-bromophenyl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(2-bromophenyl)methanone
Compound characteristics
| Compound ID: | 4100-2248 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(2-bromophenyl)methanone |
| Molecular Weight: | 403.27 |
| Molecular Formula: | C19 H19 Br N2 O3 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7572 |
| logD: | 2.5656 |
| logSw: | -3.3118 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.543 |
| InChI Key: | BVWDWJKWZAMPFL-UHFFFAOYSA-N |