{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(phenylethynyl)phenyl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(phenylethynyl)phenyl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(phenylethynyl)phenyl]methanone
Compound characteristics
| Compound ID: | 8009-7755 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(phenylethynyl)phenyl]methanone |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C27 H24 N2 O3 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1cccc(C#Cc2ccccc2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.662 |
| logD: | 4.4704 |
| logSw: | -4.7133 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.271 |
| InChI Key: | YTPNXUIMBBTMAW-UHFFFAOYSA-N |