{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-chloro-1-methyl-1H-pyrazol-5-yl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-chloro-1-methyl-1H-pyrazol-5-yl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-chloro-1-methyl-1H-pyrazol-5-yl)methanone
Compound characteristics
| Compound ID: | Y206-4573 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(4-chloro-1-methyl-1H-pyrazol-5-yl)methanone |
| Molecular Weight: | 362.81 |
| Molecular Formula: | C17 H19 Cl N4 O3 |
| Smiles: | Cn1c(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)c(cn1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.4871 |
| logD: | 1.2951 |
| logSw: | -2.5572 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.058 |
| InChI Key: | RMQJMHWWDOTGSM-UHFFFAOYSA-N |