{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(2-phenylquinolin-4-yl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(2-phenylquinolin-4-yl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(2-phenylquinolin-4-yl)methanone
Compound characteristics
| Compound ID: | Y032-1644 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(2-phenylquinolin-4-yl)methanone |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C28 H25 N3 O3 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1cc(c2ccccc2)nc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8639 |
| logD: | 4.6723 |
| logSw: | -4.9951 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.602 |
| InChI Key: | JHHIXGLXXYXLMO-UHFFFAOYSA-N |