1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y032-2406 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C24 H28 N2 O6 |
| Smiles: | COc1cc(/C=C/C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5303 |
| logD: | 2.3478 |
| logSw: | -3.0519 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.993 |
| InChI Key: | YBIGHDUGYKSZHF-UHFFFAOYSA-N |