{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-(2-chlorophenyl)quinolin-4-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-(2-chlorophenyl)quinolin-4-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-(2-chlorophenyl)quinolin-4-yl]methanone
Compound characteristics
| Compound ID: | Y508-8055 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-(2-chlorophenyl)quinolin-4-yl]methanone |
| Molecular Weight: | 485.97 |
| Molecular Formula: | C28 H24 Cl N3 O3 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1cc(c2ccccc2[Cl])nc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1893 |
| logD: | 4.9978 |
| logSw: | -5.5096 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.602 |
| InChI Key: | VANVBHCDDSNVCD-UHFFFAOYSA-N |