2-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-4-bromophenol
Chemical Structure Depiction of
2-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-4-bromophenol
2-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-4-bromophenol
Compound characteristics
| Compound ID: | 4092-1148 |
| Compound Name: | 2-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-4-bromophenol |
| Molecular Weight: | 405.29 |
| Molecular Formula: | C19 H21 Br N2 O3 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)Cc1cc(ccc1O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.1827 |
| logD: | 2.2114 |
| logSw: | -2.7819 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.175 |
| InChI Key: | RVOVMAFDZCKQOX-UHFFFAOYSA-N |