{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-bromo-5-(1H-tetrazol-1-yl)phenyl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-bromo-5-(1H-tetrazol-1-yl)phenyl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-bromo-5-(1H-tetrazol-1-yl)phenyl]methanone
Compound characteristics
| Compound ID: | Y040-6078 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-bromo-5-(1H-tetrazol-1-yl)phenyl]methanone |
| Molecular Weight: | 471.31 |
| Molecular Formula: | C20 H19 Br N6 O3 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1cc(ccc1[Br])n1cnnn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1489 |
| logD: | 1.9573 |
| logSw: | -3.0625 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 77.308 |
| InChI Key: | MAXRDUAPCQTSMM-UHFFFAOYSA-N |